4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide

C19H16N2OS4 — CID 31839852

IUPAC4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H16N2OS4/c1-13-17(26-18(20-13)14-6-9-23-12-14)19(22)21(10-15-4-2-7-24-15)11-16-5-3-8-25-16/h2-9,12H,10-11H2,1H3
InChIKeyYVVUJLRNHXLQIX-UHFFFAOYSA-N
MW416.62 g/mol
LogP6.15
Rot. Bonds6

About 4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 31839852) has the molecular formula C19H16N2OS4 and a molecular weight of 416.62 g/mol. Its IUPAC name is 4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID31839852
Molecular FormulaC19H16N2OS4
Molecular Weight416.62 g/mol
Exact Mass416.01
IUPAC Name4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C19H16N2OS4/c1-13-17(26-18(20-13)14-6-9-23-12-14)19(22)21(10-15-4-2-7-24-15)11-16-5-3-8-25-16/h2-9,12H,10-11H2,1H3
InChIKeyYVVUJLRNHXLQIX-UHFFFAOYSA-N
XLogP6.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.62
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31834733
N-ethyl-4-methyl-N-(2-phenylethyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55587242
N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 51237676
2-(4-chlorophenyl)-N,4-dimethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 39996104
N,4-dimethyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46666940
N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55427148
2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 60832046
methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate
CID 55802629
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 27863937
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 38259366

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 31839852) is 4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YVVUJLRNHXLQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS4/c1-13-17(26-18(20-13)14-6-9-23-12-14)19(22)21(10-15-4-2-7-24-15)11-16-5-3-8-25-16/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 416.62 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 31839852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).