N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C12H12ClN3O2S2 — CID 47437335

IUPACN-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)CC(N)=O
InChIInChI=1S/C12H12ClN3O2S2/c1-6-10(12(18)16(2)5-9(14)17)20-11(15-6)7-3-4-8(13)19-7/h3-4H,5H2,1-2H3,(H2,14,17)
InChIKeyGJVPLVOZWMCBAH-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.39
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 47437335) has the molecular formula C12H12ClN3O2S2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID47437335
Molecular FormulaC12H12ClN3O2S2
Molecular Weight329.83 g/mol
Exact Mass329.01
IUPAC NameN-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)CC(N)=O
InChIInChI=1S/C12H12ClN3O2S2/c1-6-10(12(18)16(2)5-9(14)17)20-11(15-6)7-3-4-8(13)19-7/h3-4H,5H2,1-2H3,(H2,14,17)
InChIKeyGJVPLVOZWMCBAH-UHFFFAOYSA-N
XLogP2.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 47437335) is N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)CC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is GJVPLVOZWMCBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S2/c1-6-10(12(18)16(2)5-9(14)17)20-11(15-6)7-3-4-8(13)19-7/h3-4H,5H2,1-2H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47437335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).