4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid

C10H15N3O2S — CID 65208967

IUPAC4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nnc(NC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C10H15N3O2S/c1-6-12-13-10(16-6)11-8-4-2-7(3-5-8)9(14)15/h7-8H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyNIQMJBBFAZQKGO-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.90
Rot. Bonds3

About 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid

4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 65208967) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID65208967
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nnc(NC2CCC(C(=O)O)CC2)s1
InChIInChI=1S/C10H15N3O2S/c1-6-12-13-10(16-6)11-8-4-2-7(3-5-8)9(14)15/h7-8H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyNIQMJBBFAZQKGO-UHFFFAOYSA-N
XLogP1.90
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
CID 79110490
4-[[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104963974
2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]acetamide
CID 64982972
4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexane-1-carboxylic acid
CID 122059917
N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 66186567
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648441
cis-(1R,2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2169381
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102689028
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65272703
1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine
CID 107648214
N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 102609219

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid (CID 65208967) is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid is Cc1nnc(NC2CCC(C(=O)O)CC2)s1.
What is the InChIKey of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NIQMJBBFAZQKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-12-13-10(16-6)11-8-4-2-7(3-5-8)9(14)15/h7-8H,2-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65208967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).