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

C11H15F3N4OS — CID 106215838

IUPAC4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H15F3N4OS/c1-2-5-16-9-17-7(15)6(20-9)8(19)18-10(3-4-10)11(12,13)14/h2-5,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyULVKNOAHQKMMLR-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.37
Rot. Bonds5

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

4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide (PubChem CID 106215838) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
PubChem CID106215838
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C11H15F3N4OS/c1-2-5-16-9-17-7(15)6(20-9)8(19)18-10(3-4-10)11(12,13)14/h2-5,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyULVKNOAHQKMMLR-UHFFFAOYSA-N
XLogP2.37
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide (CID 106215838) is 4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1.
What is the InChIKey of 4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ULVKNOAHQKMMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c1-2-5-16-9-17-7(15)6(20-9)8(19)18-10(3-4-10)11(12,13)14/h2-5,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(propylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106215838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).