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

C12H17F3N4OS — CID 103379728

IUPAC3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCCN(CC(F)(F)F)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H17F3N4OS/c1-2-5-19(6-12(13,14)15)11-8(9(16)18-21-11)10(20)17-7-3-4-7/h7H,2-6H2,1H3,(H2,16,18)(H,17,20)
InChIKeyVBFPHAYIBIVKBK-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.40
Rot. Bonds6

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

3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103379728) has the molecular formula C12H17F3N4OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103379728
Molecular FormulaC12H17F3N4OS
Molecular Weight322.36 g/mol
Exact Mass322.11
IUPAC Name3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide
SMILESCCCN(CC(F)(F)F)c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H17F3N4OS/c1-2-5-19(6-12(13,14)15)11-8(9(16)18-21-11)10(20)17-7-3-4-7/h7H,2-6H2,1H3,(H2,16,18)(H,17,20)
InChIKeyVBFPHAYIBIVKBK-UHFFFAOYSA-N
XLogP2.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide (CID 103379728) is 3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide is CCCN(CC(F)(F)F)c1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is VBFPHAYIBIVKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4OS/c1-2-5-19(6-12(13,14)15)11-8(9(16)18-21-11)10(20)17-7-3-4-7/h7H,2-6H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).