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

C26H24ClN5O4S — CID 118344468

IUPACN-[(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
SMILESCc1noc(-c2cc(C(=O)N[C@@H](C)/C=C/c3cnc(Oc4ccc(OCC5CC5)cc4Cl)s3)ccn2)n1
InChIInChI=1S/C26H24ClN5O4S/c1-15(30-24(33)18-9-10-28-22(11-18)25-31-16(2)32-36-25)3-7-20-13-29-26(37-20)35-23-8-6-19(12-21(23)27)34-14-17-4-5-17/h3,6-13,15,17H,4-5,14H2,1-2H3,(H,30,33)/b7-3+/t15-/m0/s1
InChIKeyRXYZMBCVNKESJE-MIOHMZDASA-N
MW538.03 g/mol
LogP5.96
Rot. Bonds10

About 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

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 (PubChem CID 118344468) has the molecular formula C26H24ClN5O4S and a molecular weight of 538.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID118344468
Molecular FormulaC26H24ClN5O4S
Molecular Weight538.03 g/mol
Exact Mass537.12
IUPAC NameN-[(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
SMILESCc1noc(-c2cc(C(=O)N[C@@H](C)/C=C/c3cnc(Oc4ccc(OCC5CC5)cc4Cl)s3)ccn2)n1
InChIInChI=1S/C26H24ClN5O4S/c1-15(30-24(33)18-9-10-28-22(11-18)25-31-16(2)32-36-25)3-7-20-13-29-26(37-20)35-23-8-6-19(12-21(23)27)34-14-17-4-5-17/h3,6-13,15,17H,4-5,14H2,1-2H3,(H,30,33)/b7-3+/t15-/m0/s1
InChIKeyRXYZMBCVNKESJE-MIOHMZDASA-N
XLogP5.96
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.03
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(-c2cc(C(=O)N[C@@H](C)/C=C/c3cnc(Oc4ccc(OCC5CC5)cc4Cl)s3)ccn2)n1.
What is the InChIKey of 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?
The InChIKey is RXYZMBCVNKESJE-MIOHMZDASA-N. The full InChI is InChI=1S/C26H24ClN5O4S/c1-15(30-24(33)18-9-10-28-22(11-18)25-31-16(2)32-36-25)3-7-20-13-29-26(37-20)35-23-8-6-19(12-21(23)27)34-14-17-4-5-17/h3,6-13,15,17H,4-5,14H2,1-2H3,(H,30,33)/b7-3+/t15-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 538.03 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118344468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).