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

C11H15F3N4OS — CID 106215837

IUPAC4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H15F3N4OS/c1-5(2)16-9-17-7(15)6(20-9)8(19)18-10(3-4-10)11(12,13)14/h5H,3-4,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQOSLSKPNONGJEY-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.37
Rot. Bonds4

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

4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide (PubChem CID 106215837) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
PubChem CID106215837
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H15F3N4OS/c1-5(2)16-9-17-7(15)6(20-9)8(19)18-10(3-4-10)11(12,13)14/h5H,3-4,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQOSLSKPNONGJEY-UHFFFAOYSA-N
XLogP2.37
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-(4,4-dimethylcyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666865
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 114759727
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666471
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668105

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide (CID 106215837) is 4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1.
What is the InChIKey of 4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QOSLSKPNONGJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c1-5(2)16-9-17-7(15)6(20-9)8(19)18-10(3-4-10)11(12,13)14/h5H,3-4,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106215837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).