2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide

C18H24N4O2S2 — CID 175641302

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide
SMILESCc1csc(SC2CCC(NC(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)n1
InChIInChI=1S/C18H24N4O2S2/c1-10-9-25-18(19-10)26-14-6-4-13(5-7-14)22-16(23)8-15-11(2)20-12(3)21-17(15)24/h9,13-14H,4-8H2,1-3H3,(H,22,23)(H,20,21,24)
InChIKeyQXXWRKOUNMXUBE-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.91
Rot. Bonds5

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide (PubChem CID 175641302) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide
PubChem CID175641302
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide
SMILESCc1csc(SC2CCC(NC(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)n1
InChIInChI=1S/C18H24N4O2S2/c1-10-9-25-18(19-10)26-14-6-4-13(5-7-14)22-16(23)8-15-11(2)20-12(3)21-17(15)24/h9,13-14H,4-8H2,1-3H3,(H,22,23)(H,20,21,24)
InChIKeyQXXWRKOUNMXUBE-UHFFFAOYSA-N
XLogP2.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide (CID 175641302) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide is Cc1csc(SC2CCC(NC(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)n1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide?
The InChIKey is QXXWRKOUNMXUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-10-9-25-18(19-10)26-14-6-4-13(5-7-14)22-16(23)8-15-11(2)20-12(3)21-17(15)24/h9,13-14H,4-8H2,1-3H3,(H,22,23)(H,20,21,24).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide has a molecular weight of 392.55 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide is sourced from PubChem (CID 175641302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).