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

C11H13F3N4OS — CID 106218893

IUPAC3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NC2(C(F)(F)F)CC2)c1C(=O)NC1CC1
InChIInChI=1S/C11H13F3N4OS/c12-11(13,14)10(3-4-10)17-9-6(7(15)18-20-9)8(19)16-5-1-2-5/h5,17H,1-4H2,(H2,15,18)(H,16,19)
InChIKeyBDYAPBPSBWPKCN-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.12
Rot. Bonds4

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

3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 106218893) has the molecular formula C11H13F3N4OS and a molecular weight of 306.31 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide
PubChem CID106218893
Molecular FormulaC11H13F3N4OS
Molecular Weight306.31 g/mol
Exact Mass306.08
IUPAC Name3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NC2(C(F)(F)F)CC2)c1C(=O)NC1CC1
InChIInChI=1S/C11H13F3N4OS/c12-11(13,14)10(3-4-10)17-9-6(7(15)18-20-9)8(19)16-5-1-2-5/h5,17H,1-4H2,(H2,15,18)(H,16,19)
InChIKeyBDYAPBPSBWPKCN-UHFFFAOYSA-N
XLogP2.12
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.12
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-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide (CID 106218893) is 3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide is Nc1nsc(NC2(C(F)(F)F)CC2)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is BDYAPBPSBWPKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4OS/c12-11(13,14)10(3-4-10)17-9-6(7(15)18-20-9)8(19)16-5-1-2-5/h5,17H,1-4H2,(H2,15,18)(H,16,19).
What are the key properties of 3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 306.31 g/mol, XLogP of 2.12, 4 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-[[1-(trifluoromethyl)cyclopropyl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 106218893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).