N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H14F3N3O2S — CID 99440786

IUPACN-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2sccn2c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)12-3-1-11(2-4-12)10-24(13-5-6-13)16(26)14-9-22-17-23(15(14)25)7-8-27-17/h1-4,7-9,13H,5-6,10H2
InChIKeyKXMSPEZYCPGFMG-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.58
Rot. Bonds4

About N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 99440786) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID99440786
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC NameN-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2sccn2c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)12-3-1-11(2-4-12)10-24(13-5-6-13)16(26)14-9-22-17-23(15(14)25)7-8-27-17/h1-4,7-9,13H,5-6,10H2
InChIKeyKXMSPEZYCPGFMG-UHFFFAOYSA-N
XLogP3.58
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 99440786) is N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(c1cnc2sccn2c1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KXMSPEZYCPGFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c19-18(20,21)12-3-1-11(2-4-12)10-24(13-5-6-13)16(26)14-9-22-17-23(15(14)25)7-8-27-17/h1-4,7-9,13H,5-6,10H2.
What are the key properties of N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 99440786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).