4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide

C26H25ClN4O4S — CID 144549954

IUPAC4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(NC/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C26H25ClN4O4S/c27-21-13-19(34-15-16-3-4-16)7-8-23(21)35-26-30-14-20(36-26)2-1-10-29-24(32)17-9-11-28-22(12-17)25(33)31-18-5-6-18/h1-2,7-9,11-14,16,18H,3-6,10,15H2,(H,29,32)(H,31,33)/b2-1+
InChIKeyJRWJZSUHZCICRD-OWOJBTEDSA-N
MW525.03 g/mol
LogP5.11
Rot. Bonds11

About 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide

4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide (PubChem CID 144549954) has the molecular formula C26H25ClN4O4S and a molecular weight of 525.03 g/mol. Its IUPAC name is 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
PubChem CID144549954
Molecular FormulaC26H25ClN4O4S
Molecular Weight525.03 g/mol
Exact Mass524.13
IUPAC Name4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(NC/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C26H25ClN4O4S/c27-21-13-19(34-15-16-3-4-16)7-8-23(21)35-26-30-14-20(36-26)2-1-10-29-24(32)17-9-11-28-22(12-17)25(33)31-18-5-6-18/h1-2,7-9,11-14,16,18H,3-6,10,15H2,(H,29,32)(H,31,33)/b2-1+
InChIKeyJRWJZSUHZCICRD-OWOJBTEDSA-N
XLogP5.11
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.03
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide with MolForge

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Related Compounds

N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-fluoropyridine-4-carboxamide
CID 118344474
N-[(E,2S)-4-[2-(2-chloro-4-propoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]-3-fluoropyridine-4-carboxamide
CID 118344486
N-[(2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-fluoropyridine-4-carboxamide
CID 123243364
N-[(2S)-4-[2-(2-chloro-4-propoxyphenoxy)-1,3-thiazol-5-yl]but-3-en-2-yl]-3-fluoropyridine-4-carboxamide
CID 123277847
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-3-ylacetamide
CID 118344404
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide
CID 118344443
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-4-ylacetamide
CID 118344444
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-(5-methylfuran-2-yl)pyridine-4-carboxamide
CID 118344457
ethyl 4-[[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]carbamoyl]pyridine-2-carboxylate
CID 118344460
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 118344461
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 118344462
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-4-carboxamide
CID 118344468

Frequently Asked Questions

What is the IUPAC name of 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide (CID 144549954) is 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide is O=C(NC/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1)c1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The InChIKey is JRWJZSUHZCICRD-OWOJBTEDSA-N. The full InChI is InChI=1S/C26H25ClN4O4S/c27-21-13-19(34-15-16-3-4-16)7-8-23(21)35-26-30-14-20(36-26)2-1-10-29-24(32)17-9-11-28-22(12-17)25(33)31-18-5-6-18/h1-2,7-9,11-14,16,18H,3-6,10,15H2,(H,29,32)(H,31,33)/b2-1+.
What are the key properties of 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide?
4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide has a molecular weight of 525.03 g/mol, XLogP of 5.11, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(E)-3-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]prop-2-enyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 144549954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).