N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

C12H18N4O2S — CID 136879236

IUPACN-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCS(=O)CC1)c1cn2c(n1)NCCC2
InChIInChI=1S/C12H18N4O2S/c17-11(14-9-2-6-19(18)7-3-9)10-8-16-5-1-4-13-12(16)15-10/h8-9H,1-7H2,(H,13,15)(H,14,17)
InChIKeyQCSGXWAIHIHWBZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.34
Rot. Bonds2

About N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136879236) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136879236
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCS(=O)CC1)c1cn2c(n1)NCCC2
InChIInChI=1S/C12H18N4O2S/c17-11(14-9-2-6-19(18)7-3-9)10-8-16-5-1-4-13-12(16)15-10/h8-9H,1-7H2,(H,13,15)(H,14,17)
InChIKeyQCSGXWAIHIHWBZ-UHFFFAOYSA-N
XLogP0.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136879236) is N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NC1CCS(=O)CC1)c1cn2c(n1)NCCC2.
What is the InChIKey of N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is QCSGXWAIHIHWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c17-11(14-9-2-6-19(18)7-3-9)10-8-16-5-1-4-13-12(16)15-10/h8-9H,1-7H2,(H,13,15)(H,14,17).
What are the key properties of N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136879236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).