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

C10H9ClN2OS2 — CID 47208477

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C10H9ClN2OS2/c1-6-9(15-5-13-6)10(14)12-4-7-2-3-8(11)16-7/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyWPRSQGIDXMIWPC-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.10
Rot. Bonds3

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

N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47208477) has the molecular formula C10H9ClN2OS2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47208477
Molecular FormulaC10H9ClN2OS2
Molecular Weight272.78 g/mol
Exact Mass271.98
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C10H9ClN2OS2/c1-6-9(15-5-13-6)10(14)12-4-7-2-3-8(11)16-7/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyWPRSQGIDXMIWPC-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365
N-[(4-bromothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47291490
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443932
N-[(4-aminophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60891064
N-[[4-(aminomethyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81090222
N-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 63652849
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122263537
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519034

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 47208477) is N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WPRSQGIDXMIWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS2/c1-6-9(15-5-13-6)10(14)12-4-7-2-3-8(11)16-7/h2-3,5H,4H2,1H3,(H,12,14).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 272.78 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47208477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).