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

C12H20N4OS — CID 116669993

IUPAC4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC(C)C2CC2)s1
InChIInChI=1S/C12H20N4OS/c1-6(2)14-12-16-10(13)9(18-12)11(17)15-7(3)8-4-5-8/h6-8H,4-5,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWKGWIWMIMIYXTH-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.07
Rot. Bonds5

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

4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116669993) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116669993
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC(C)C2CC2)s1
InChIInChI=1S/C12H20N4OS/c1-6(2)14-12-16-10(13)9(18-12)11(17)15-7(3)8-4-5-8/h6-8H,4-5,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWKGWIWMIMIYXTH-UHFFFAOYSA-N
XLogP2.07
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666471
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669998
4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663074
4-amino-N-(4,4-dimethylcyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666865
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884
4-amino-N-(6-methylheptan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663763
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931
4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672047

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116669993) is 4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NC(C)C2CC2)s1.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is WKGWIWMIMIYXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-6(2)14-12-16-10(13)9(18-12)11(17)15-7(3)8-4-5-8/h6-8H,4-5,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).