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

C12H17F3N4OS — CID 106215839

IUPAC4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C12H17F3N4OS/c1-6(2)5-17-10-18-8(16)7(21-10)9(20)19-11(3-4-11)12(13,14)15/h6H,3-5,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyANLRACSGLLRQHU-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.62
Rot. Bonds5

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

4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide (PubChem CID 106215839) has the molecular formula C12H17F3N4OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
PubChem CID106215839
Molecular FormulaC12H17F3N4OS
Molecular Weight322.36 g/mol
Exact Mass322.11
IUPAC Name4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C12H17F3N4OS/c1-6(2)5-17-10-18-8(16)7(21-10)9(20)19-11(3-4-11)12(13,14)15/h6H,3-5,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyANLRACSGLLRQHU-UHFFFAOYSA-N
XLogP2.62
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide (CID 106215839) is 4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide is CC(C)CNc1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1.
What is the InChIKey of 4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ANLRACSGLLRQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4OS/c1-6(2)5-17-10-18-8(16)7(21-10)9(20)19-11(3-4-11)12(13,14)15/h6H,3-5,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpropylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106215839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).