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

C14H24N4OS — CID 80616011

IUPACN-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NC2CCC(CC)CC2)s1
InChIInChI=1S/C14H24N4OS/c1-3-9-15-14-18-17-13(20-14)12(19)16-11-7-5-10(4-2)6-8-11/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyQHTCGGIAMUTZKA-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.06
Rot. Bonds6

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

N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616011) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616011
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NC2CCC(CC)CC2)s1
InChIInChI=1S/C14H24N4OS/c1-3-9-15-14-18-17-13(20-14)12(19)16-11-7-5-10(4-2)6-8-11/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyQHTCGGIAMUTZKA-UHFFFAOYSA-N
XLogP3.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
N-(2-bicyclo[2.2.1]heptanyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617254
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 115561682
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616088
5-(propylamino)-N-(thiolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624337
N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615777
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
(3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80617390
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114799849
N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
CID 63498977

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80616011) is N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)NC2CCC(CC)CC2)s1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QHTCGGIAMUTZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-9-15-14-18-17-13(20-14)12(19)16-11-7-5-10(4-2)6-8-11/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).