2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide

C12H19N3OS — CID 52898270

IUPAC2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1csc(NC2CC2)n1
InChIInChI=1S/C12H19N3OS/c1-8(2)5-6-13-11(16)10-7-17-12(15-10)14-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyYEMIMSLDCAZORK-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.49
Rot. Bonds6

About 2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide

2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 52898270) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID52898270
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1csc(NC2CC2)n1
InChIInChI=1S/C12H19N3OS/c1-8(2)5-6-13-11(16)10-7-17-12(15-10)14-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyYEMIMSLDCAZORK-UHFFFAOYSA-N
XLogP2.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-N-methyl-1,3-thiazole-4-carboxamide
CID 42281846
2-amino-N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 51351273
Thia-Net
CID 148100
2-(6-aminohexanoylamino)-N-[3-(dimethylamino)propyl]thiazole-4-carboxamide
CID 482919
2-[(2-methylpropyl)amino]-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]-1,3-thiazole-4-carboxamide
CID 49656826
2-(cyclopropylamino)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide
CID 49656855
N-cyclopropyl-2-(isopentylamino)thiazole-4-carboxamide
CID 51044390
N-methyl-4-{[(3aS,6aS)-1-methylhexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]carbonyl}-1,3-thiazol-2-amine
CID 70742759
N-(2-tert-butylsulfinylethyl)-2-(cyclopropylamino)-1,3-thiazole-4-carboxamide
CID 75424104
2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide
CID 75429924
2-amino-N-ethyl-1,3-thiazole-4-carboxamide
CID 42281847
N-methyl-2-propionamidothiazole-4-carboxamide
CID 16915486

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide (CID 52898270) is 2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide is CC(C)CCNC(=O)c1csc(NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YEMIMSLDCAZORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)5-6-13-11(16)10-7-17-12(15-10)14-9-3-4-9/h7-9H,3-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide?
2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 52898270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).