N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide

C15H20N4O2S — CID 167967192

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide
SMILESO=C1CCN(C(=O)Nc2nc(C3CC3)cs2)C2CCCCN12
InChIInChI=1S/C15H20N4O2S/c20-13-6-8-19(12-3-1-2-7-18(12)13)15(21)17-14-16-11(9-22-14)10-4-5-10/h9-10,12H,1-8H2,(H,16,17,21)
InChIKeyYSDDLLKSSYFRJH-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.60
Rot. Bonds2

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide (PubChem CID 167967192) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide
PubChem CID167967192
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide
SMILESO=C1CCN(C(=O)Nc2nc(C3CC3)cs2)C2CCCCN12
InChIInChI=1S/C15H20N4O2S/c20-13-6-8-19(12-3-1-2-7-18(12)13)15(21)17-14-16-11(9-22-14)10-4-5-10/h9-10,12H,1-8H2,(H,16,17,21)
InChIKeyYSDDLLKSSYFRJH-UHFFFAOYSA-N
XLogP2.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide (CID 167967192) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide is O=C1CCN(C(=O)Nc2nc(C3CC3)cs2)C2CCCCN12.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide?
The InChIKey is YSDDLLKSSYFRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c20-13-6-8-19(12-3-1-2-7-18(12)13)15(21)17-14-16-11(9-22-14)10-4-5-10/h9-10,12H,1-8H2,(H,16,17,21).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide is sourced from PubChem (CID 167967192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).