N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C13H22N4O2S — CID 102636762

IUPACN-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)C2CCCCC2O)s1
InChIInChI=1S/C13H22N4O2S/c1-3-8-14-13-16-15-11(20-13)12(19)17(2)9-6-4-5-7-10(9)18/h9-10,18H,3-8H2,1-2H3,(H,14,16)
InChIKeyYGFUFEAJPNFKIH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.74
Rot. Bonds5

About N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 102636762) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID102636762
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)C2CCCCC2O)s1
InChIInChI=1S/C13H22N4O2S/c1-3-8-14-13-16-15-11(20-13)12(19)17(2)9-6-4-5-7-10(9)18/h9-10,18H,3-8H2,1-2H3,(H,14,16)
InChIKeyYGFUFEAJPNFKIH-UHFFFAOYSA-N
XLogP1.74
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 102636762) is N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(C)C2CCCCC2O)s1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YGFUFEAJPNFKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-8-14-13-16-15-11(20-13)12(19)17(2)9-6-4-5-7-10(9)18/h9-10,18H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 102636762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).