N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C16H18N4OS2 — CID 70710732

IUPACN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H18N4OS2/c1-19-9-7-17-14(19)6-3-8-20(2)16(21)12-11-23-15(18-12)13-5-4-10-22-13/h4-5,7,9-11H,3,6,8H2,1-2H3
InChIKeyPUZONWAFISXPOV-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.31
Rot. Bonds6

About N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 70710732) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID70710732
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H18N4OS2/c1-19-9-7-17-14(19)6-3-8-20(2)16(21)12-11-23-15(18-12)13-5-4-10-22-13/h4-5,7,9-11H,3,6,8H2,1-2H3
InChIKeyPUZONWAFISXPOV-UHFFFAOYSA-N
XLogP3.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91789836
N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55637744
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134046643
3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 72892737
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27793502
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
N-methyl-3-[4-(methylamino)phenyl]-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 118784969
N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 96579417
3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91778192
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46564945
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 70710732) is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CN(CCCc1nccn1C)C(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PUZONWAFISXPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-19-9-7-17-14(19)6-3-8-20(2)16(21)12-11-23-15(18-12)13-5-4-10-22-13/h4-5,7,9-11H,3,6,8H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70710732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).