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

C13H20N4OS — CID 103380188

IUPAC3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
SMILESCC1CCCC1Nc1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C13H20N4OS/c1-7-3-2-4-9(7)16-13-10(11(14)17-19-13)12(18)15-8-5-6-8/h7-9,16H,2-6H2,1H3,(H2,14,17)(H,15,18)
InChIKeyXXSIPCNHWZBXGO-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.22
Rot. Bonds4

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

3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103380188) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103380188
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
SMILESCC1CCCC1Nc1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C13H20N4OS/c1-7-3-2-4-9(7)16-13-10(11(14)17-19-13)12(18)15-8-5-6-8/h7-9,16H,2-6H2,1H3,(H2,14,17)(H,15,18)
InChIKeyXXSIPCNHWZBXGO-UHFFFAOYSA-N
XLogP2.22
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382582
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381201
3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
CID 114267278
3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
CID 103379369
3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
CID 103380138
3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
CID 103384184
3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide
CID 106218893
methyl 3-amino-5-[(1,3-dimethylpiperidin-4-yl)amino]-1,2-thiazole-4-carboxylate
CID 103384590
3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107421532

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide (CID 103380188) is 3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide is CC1CCCC1Nc1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is XXSIPCNHWZBXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-7-3-2-4-9(7)16-13-10(11(14)17-19-13)12(18)15-8-5-6-8/h7-9,16H,2-6H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).