2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

C18H14ClN3O2S2 — CID 86946620

IUPAC2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1cccc(OCC#N)c1
InChIInChI=1S/C18H14ClN3O2S2/c1-11-16(26-18(22-11)14-5-6-15(19)25-14)17(23)21-10-12-3-2-4-13(9-12)24-8-7-20/h2-6,9H,8,10H2,1H3,(H,21,23)
InChIKeyFYFDHUKLOKSQMP-UHFFFAOYSA-N
MW403.92 g/mol
LogP4.67
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 86946620) has the molecular formula C18H14ClN3O2S2 and a molecular weight of 403.92 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID86946620
Molecular FormulaC18H14ClN3O2S2
Molecular Weight403.92 g/mol
Exact Mass403.02
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1cccc(OCC#N)c1
InChIInChI=1S/C18H14ClN3O2S2/c1-11-16(26-18(22-11)14-5-6-15(19)25-14)17(23)21-10-12-3-2-4-13(9-12)24-8-7-20/h2-6,9H,8,10H2,1H3,(H,21,23)
InChIKeyFYFDHUKLOKSQMP-UHFFFAOYSA-N
XLogP4.67
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 86848562
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55804099
N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55787475
N-[[3-(cyanomethoxy)phenyl]methyl]-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 86946512
N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18279656
N-[(3-bromophenyl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55577849
2-amino-N-[3-(cyanomethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62793420
(2R)-3-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98465541
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
methyl 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetate
CID 60609906

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 86946620) is 2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1cccc(OCC#N)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FYFDHUKLOKSQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S2/c1-11-16(26-18(22-11)14-5-6-15(19)25-14)17(23)21-10-12-3-2-4-13(9-12)24-8-7-20/h2-6,9H,8,10H2,1H3,(H,21,23).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 403.92 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86946620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).