2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H24N4OS — CID 39176888

IUPAC2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCCCC1CCC(c2nnc(NC(=O)CN)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-2-3-4-10-5-7-11(8-6-10)13-17-18-14(20-13)16-12(19)9-15/h10-11H,2-9,15H2,1H3,(H,16,18,19)
InChIKeyOJQKGBMUGPFCSN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.90
Rot. Bonds6

About 2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide

2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 39176888) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID39176888
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCCCC1CCC(c2nnc(NC(=O)CN)s2)CC1
InChIInChI=1S/C14H24N4OS/c1-2-3-4-10-5-7-11(8-6-10)13-17-18-14(20-13)16-12(19)9-15/h10-11H,2-9,15H2,1H3,(H,16,18,19)
InChIKeyOJQKGBMUGPFCSN-UHFFFAOYSA-N
XLogP2.90
TPSA80.90 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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 130694011
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
4-butyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide
CID 16876319
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
2,5-bis(4-hexylcyclohexyl)-1,3,4-thiadiazole
CID 15597091
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 146022296
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea
CID 86768814
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39090374

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 39176888) is 2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide is CCCCC1CCC(c2nnc(NC(=O)CN)s2)CC1.
What is the InChIKey of 2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OJQKGBMUGPFCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-2-3-4-10-5-7-11(8-6-10)13-17-18-14(20-13)16-12(19)9-15/h10-11H,2-9,15H2,1H3,(H,16,18,19).
What are the key properties of 2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 39176888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).