3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide

C10H13F3N4OS — CID 103380138

IUPAC3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCCC(F)(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)3-4-15-9-6(7(14)17-19-9)8(18)16-5-1-2-5/h5,15H,1-4H2,(H2,14,17)(H,16,18)
InChIKeyPJYWEVDPEWYOPF-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.98
Rot. Bonds5

About 3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103380138) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
PubChem CID103380138
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC Name3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCCC(F)(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C10H13F3N4OS/c11-10(12,13)3-4-15-9-6(7(14)17-19-9)8(18)16-5-1-2-5/h5,15H,1-4H2,(H2,14,17)(H,16,18)
InChIKeyPJYWEVDPEWYOPF-UHFFFAOYSA-N
XLogP1.98
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide (CID 103380138) is 3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide is Nc1nsc(NCCC(F)(F)F)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is PJYWEVDPEWYOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c11-10(12,13)3-4-15-9-6(7(14)17-19-9)8(18)16-5-1-2-5/h5,15H,1-4H2,(H2,14,17)(H,16,18).
What are the key properties of 3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).