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

C12H15ClN4OS2 — CID 116663381

IUPAC4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H15ClN4OS2/c1-16(2)12-15-10(14)9(20-12)11(18)17(3)6-7-4-5-8(13)19-7/h4-5H,6,14H2,1-3H3
InChIKeyLDKJYSUEMVXGBA-UHFFFAOYSA-N
MW330.87 g/mol
LogP2.78
Rot. Bonds4

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

4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116663381) has the molecular formula C12H15ClN4OS2 and a molecular weight of 330.87 g/mol. Its IUPAC name is 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID116663381
Molecular FormulaC12H15ClN4OS2
Molecular Weight330.87 g/mol
Exact Mass330.04
IUPAC Name4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H15ClN4OS2/c1-16(2)12-15-10(14)9(20-12)11(18)17(3)6-7-4-5-8(13)19-7/h4-5H,6,14H2,1-3H3
InChIKeyLDKJYSUEMVXGBA-UHFFFAOYSA-N
XLogP2.78
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.87
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-amino-2-(dimethylamino)-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663214
4-amino-N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663147
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116663126
4-amino-2-(dimethylamino)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671884
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666832
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116669684
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide (CID 116663381) is 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LDKJYSUEMVXGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS2/c1-16(2)12-15-10(14)9(20-12)11(18)17(3)6-7-4-5-8(13)19-7/h4-5H,6,14H2,1-3H3.
What are the key properties of 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 330.87 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).