4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C13H22N4OS — CID 116673001

IUPAC4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCCC2CCC2)s1
InChIInChI=1S/C13H22N4OS/c1-8(2)16-13-17-11(14)10(19-13)12(18)15-7-6-9-4-3-5-9/h8-9H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCEBFXJOGSXPIDI-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.47
Rot. Bonds6

About 4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116673001) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116673001
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCCC2CCC2)s1
InChIInChI=1S/C13H22N4OS/c1-8(2)16-13-17-11(14)10(19-13)12(18)15-7-6-9-4-3-5-9/h8-9H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyCEBFXJOGSXPIDI-UHFFFAOYSA-N
XLogP2.47
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116665759
4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide
CID 116666781
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-N-(5-amino-5-oxopentyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106242061
4-amino-N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 107403247
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
4-amino-N-(cyclohex-3-en-1-ylmethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664985
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-N-[3-(diethylamino)propyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668564
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106343623

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116673001) is 4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NCCC2CCC2)s1.
What is the InChIKey of 4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is CEBFXJOGSXPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-8(2)16-13-17-11(14)10(19-13)12(18)15-7-6-9-4-3-5-9/h8-9H,3-7,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).