N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide

C12H19N7O2S — CID 7415704

IUPACN-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
SMILESNc1nc(N)nc(SCC(=O)NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H19N7O2S/c13-9-17-10(14)19-12(18-9)22-6-8(20)16-11(21)15-7-4-2-1-3-5-7/h7H,1-6H2,(H2,15,16,20,21)(H4,13,14,17,18,19)
InChIKeyJCIZKQSSXFCGOO-UHFFFAOYSA-N
MW325.40 g/mol
LogP0.29
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide

N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide (PubChem CID 7415704) has the molecular formula C12H19N7O2S and a molecular weight of 325.40 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
PubChem CID7415704
Molecular FormulaC12H19N7O2S
Molecular Weight325.40 g/mol
Exact Mass325.13
IUPAC NameN-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
SMILESNc1nc(N)nc(SCC(=O)NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C12H19N7O2S/c13-9-17-10(14)19-12(18-9)22-6-8(20)16-11(21)15-7-4-2-1-3-5-7/h7H,1-6H2,(H2,15,16,20,21)(H4,13,14,17,18,19)
InChIKeyJCIZKQSSXFCGOO-UHFFFAOYSA-N
XLogP0.29
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295
2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 4845048
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 7415761
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 34227623
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 7845143
N-(cyclohexylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 17431041
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43250989
N-(cyclohexylcarbamoyl)-2-cyclohexylsulfanylacetamide
CID 8705522
N-(cyclohexylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668225
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 112779921
N-(cyclohexylcarbamoyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17439419

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide (CID 7415704) is N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide is Nc1nc(N)nc(SCC(=O)NC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
The InChIKey is JCIZKQSSXFCGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2S/c13-9-17-10(14)19-12(18-9)22-6-8(20)16-11(21)15-7-4-2-1-3-5-7/h7H,1-6H2,(H2,15,16,20,21)(H4,13,14,17,18,19).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide?
N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide has a molecular weight of 325.40 g/mol, XLogP of 0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7415704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).