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

C10H13F3N4OS — CID 106215834

IUPAC4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H13F3N4OS/c1-17(2)8-15-6(14)5(19-8)7(18)16-9(3-4-9)10(11,12)13/h3-4,14H2,1-2H3,(H,16,18)
InChIKeyGWEQBDGTGWFGKE-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.62
Rot. Bonds3

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

4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide (PubChem CID 106215834) has the molecular formula C10H13F3N4OS and a molecular weight of 294.30 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
PubChem CID106215834
Molecular FormulaC10H13F3N4OS
Molecular Weight294.30 g/mol
Exact Mass294.08
IUPAC Name4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H13F3N4OS/c1-17(2)8-15-6(14)5(19-8)7(18)16-9(3-4-9)10(11,12)13/h3-4,14H2,1-2H3,(H,16,18)
InChIKeyGWEQBDGTGWFGKE-UHFFFAOYSA-N
XLogP1.62
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide (CID 106215834) is 4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)NC2(C(F)(F)F)CC2)s1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GWEQBDGTGWFGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4OS/c1-17(2)8-15-6(14)5(19-8)7(18)16-9(3-4-9)10(11,12)13/h3-4,14H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106215834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).