6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one

C15H19N3OS2 — CID 163910692

IUPAC6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one
SMILESCC1CCC(c2[nH]c(=S)[nH]c(=O)c2Cc2nccs2)CC1
InChIInChI=1S/C15H19N3OS2/c1-9-2-4-10(5-3-9)13-11(8-12-16-6-7-21-12)14(19)18-15(20)17-13/h6-7,9-10H,2-5,8H2,1H3,(H2,17,18,19,20)
InChIKeyQRUSOVQMBMZXMW-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.77
Rot. Bonds3

About 6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one

6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one (PubChem CID 163910692) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one
PubChem CID163910692
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one
SMILESCC1CCC(c2[nH]c(=S)[nH]c(=O)c2Cc2nccs2)CC1
InChIInChI=1S/C15H19N3OS2/c1-9-2-4-10(5-3-9)13-11(8-12-16-6-7-21-12)14(19)18-15(20)17-13/h6-7,9-10H,2-5,8H2,1H3,(H2,17,18,19,20)
InChIKeyQRUSOVQMBMZXMW-UHFFFAOYSA-N
XLogP3.77
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(4-methylcyclohexyl)-2-sulfanylidene-5-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidin-4-one
CID 149249522
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one
CID 11242134
5-[(3,4-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 89448104
3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816
4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883
1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 103450798
3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64966359
2-(4-methylcyclohexyl)-1H-imidazole
CID 67915661
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
CID 110715902
2-cyclopropyl-4-(1,3-thiazol-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136974677
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
CID 110715903

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one?
The IUPAC name of 6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one (CID 163910692) is 6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one.
What is the SMILES notation for 6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one?
The canonical SMILES for 6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one is CC1CCC(c2[nH]c(=S)[nH]c(=O)c2Cc2nccs2)CC1.
What is the InChIKey of 6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one?
The InChIKey is QRUSOVQMBMZXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-9-2-4-10(5-3-9)13-11(8-12-16-6-7-21-12)14(19)18-15(20)17-13/h6-7,9-10H,2-5,8H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one?
6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one has a molecular weight of 321.47 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one is sourced from PubChem (CID 163910692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).