5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide

C11H18N4OS — CID 80617219

IUPAC5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(N)s1)C1CCCCC1
InChIInChI=1S/C11H18N4OS/c1-7(8-5-3-2-4-6-8)13-9(16)10-14-15-11(12)17-10/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyCNLMDYNISWIUGD-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.82
Rot. Bonds3

About 5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617219) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617219
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(N)s1)C1CCCCC1
InChIInChI=1S/C11H18N4OS/c1-7(8-5-3-2-4-6-8)13-9(16)10-14-15-11(12)17-10/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,16)
InChIKeyCNLMDYNISWIUGD-UHFFFAOYSA-N
XLogP1.82
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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6-amino-N-(1-cyclohexylethyl)pyrazine-2-carboxamide
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(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone
CID 176892157
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
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3-amino-N-(1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523510
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide
CID 55069123
5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 104765544
5-amino-N-(1-cyclopropylethyl)thiadiazole-4-carboxamide;hydrochloride
CID 130905105

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80617219) is 5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide is CC(NC(=O)c1nnc(N)s1)C1CCCCC1.
What is the InChIKey of 5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CNLMDYNISWIUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7(8-5-3-2-4-6-8)13-9(16)10-14-15-11(12)17-10/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).