methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate

C10H15N3O2S — CID 115777411

IUPACmethyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2ncns2)CC1
InChIInChI=1S/C10H15N3O2S/c1-15-9(14)7-2-4-8(5-3-7)13-10-11-6-12-16-10/h6-8H,2-5H2,1H3,(H,11,12,13)
InChIKeyBXANUMVYMHTZGV-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.68
Rot. Bonds3

About methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate

methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate (PubChem CID 115777411) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate
PubChem CID115777411
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2ncns2)CC1
InChIInChI=1S/C10H15N3O2S/c1-15-9(14)7-2-4-8(5-3-7)13-10-11-6-12-16-10/h6-8H,2-5H2,1H3,(H,11,12,13)
InChIKeyBXANUMVYMHTZGV-UHFFFAOYSA-N
XLogP1.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine
CID 102809586
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 112689982
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine
CID 131041447
methyl 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 102687139
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 13394768
methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate
CID 113232923
methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 137007750
methyl 4-[(5-bromo-3-chloro-2-pyridinyl)amino]cyclohexane-1-carboxylate
CID 103583959
methyl 4-[(6-nitro-3-pyridinyl)amino]cyclohexane-1-carboxylate
CID 115633971
methyl 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 115616833
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate (CID 115777411) is methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate is COC(=O)C1CCC(Nc2ncns2)CC1.
What is the InChIKey of methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate?
The InChIKey is BXANUMVYMHTZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-9(14)7-2-4-8(5-3-7)13-10-11-6-12-16-10/h6-8H,2-5H2,1H3,(H,11,12,13).
What are the key properties of methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate?
methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 115777411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).