N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide

C17H18N6OS — CID 86649527

IUPACN-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide
SMILESCC(C)(C)c1ncc2c(n1)-c1sc(NC(=O)n3ccnc3)nc1CC2
InChIInChI=1S/C17H18N6OS/c1-17(2,3)14-19-8-10-4-5-11-13(12(10)21-14)25-15(20-11)22-16(24)23-7-6-18-9-23/h6-9H,4-5H2,1-3H3,(H,20,22,24)
InChIKeyXBWJQQXZIRRKPJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.27
Rot. Bonds1

About N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide

N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide (PubChem CID 86649527) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide
PubChem CID86649527
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide
SMILESCC(C)(C)c1ncc2c(n1)-c1sc(NC(=O)n3ccnc3)nc1CC2
InChIInChI=1S/C17H18N6OS/c1-17(2,3)14-19-8-10-4-5-11-13(12(10)21-14)25-15(20-11)22-16(24)23-7-6-18-9-23/h6-9H,4-5H2,1-3H3,(H,20,22,24)
InChIKeyXBWJQQXZIRRKPJ-UHFFFAOYSA-N
XLogP3.27
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide?
The IUPAC name of N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide (CID 86649527) is N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide is CC(C)(C)c1ncc2c(n1)-c1sc(NC(=O)n3ccnc3)nc1CC2.
What is the InChIKey of N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide?
The InChIKey is XBWJQQXZIRRKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-17(2,3)14-19-8-10-4-5-11-13(12(10)21-14)25-15(20-11)22-16(24)23-7-6-18-9-23/h6-9H,4-5H2,1-3H3,(H,20,22,24).
What are the key properties of N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide?
N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)imidazole-1-carboxamide is sourced from PubChem (CID 86649527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).