(E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide

C15H14ClN3OS — CID 43593285

IUPAC(E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C15H14ClN3OS/c16-11-4-1-10(2-5-11)3-6-14(20)19-15-18-12-7-8-17-9-13(12)21-15/h1-6,17H,7-9H2,(H,18,19,20)/b6-3+
InChIKeyGHZDQGHDIVCUJY-ZZXKWVIFSA-N
MW319.82 g/mol
LogP3.09
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide (PubChem CID 43593285) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
PubChem CID43593285
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name(E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C15H14ClN3OS/c16-11-4-1-10(2-5-11)3-6-14(20)19-15-18-12-7-8-17-9-13(12)21-15/h1-6,17H,7-9H2,(H,18,19,20)/b6-3+
InChIKeyGHZDQGHDIVCUJY-ZZXKWVIFSA-N
XLogP3.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 47119070
2,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593378
3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)but-2-enamide
CID 43593365
4-chloro-2-hydroxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593292
1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 107653982
(E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 82194063
(E)-3-(2,4-dichlorophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide
CID 84559967
methyl 4-[(E)-3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)prop-1-enyl]benzoate
CID 8749309
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride
CID 71778985
(E)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 2677829
(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 84559893
(E)-3-(4-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 6289125

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide (CID 43593285) is (E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1nc2c(s1)CNCC2.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide?
The InChIKey is GHZDQGHDIVCUJY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c16-11-4-1-10(2-5-11)3-6-14(20)19-15-18-12-7-8-17-9-13(12)21-15/h1-6,17H,7-9H2,(H,18,19,20)/b6-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide has a molecular weight of 319.82 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide is sourced from PubChem (CID 43593285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).