3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide

C12H20N4OS — CID 103380656

IUPAC3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC1(C)CCCC1
InChIInChI=1S/C12H20N4OS/c1-12(5-3-4-6-12)7-15-11-8(10(17)14-2)9(13)16-18-11/h15H,3-7H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyQVNWVBQVYJXNBB-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103380656) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide
PubChem CID103380656
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC1(C)CCCC1
InChIInChI=1S/C12H20N4OS/c1-12(5-3-4-6-12)7-15-11-8(10(17)14-2)9(13)16-18-11/h15H,3-7H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyQVNWVBQVYJXNBB-UHFFFAOYSA-N
XLogP2.08
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378938
3-amino-N-methyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1,2-thiazole-4-carboxamide
CID 103381250
3-amino-N-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carboxamide
CID 103380124
ethyl 3-amino-5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 107165741
methyl 3-amino-5-[(1-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103378868
3-amino-5-[(3,3-dimethylcyclopentyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103384518
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 106259045

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide (CID 103380656) is 3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCC1(C)CCCC1.
What is the InChIKey of 3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is QVNWVBQVYJXNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(5-3-4-6-12)7-15-11-8(10(17)14-2)9(13)16-18-11/h15H,3-7H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).