methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate

C11H15N3O3S — CID 113232923

IUPACmethyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cnns2)CC1
InChIInChI=1S/C11H15N3O3S/c1-17-11(16)7-2-4-8(5-3-7)13-10(15)9-6-12-14-18-9/h6-8H,2-5H2,1H3,(H,13,15)
InChIKeyMYTYWONEWATLHN-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.00
Rot. Bonds3

About methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate

methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate (PubChem CID 113232923) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate
PubChem CID113232923
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Namemethyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cnns2)CC1
InChIInChI=1S/C11H15N3O3S/c1-17-11(16)7-2-4-8(5-3-7)13-10(15)9-6-12-14-18-9/h6-8H,2-5H2,1H3,(H,13,15)
InChIKeyMYTYWONEWATLHN-UHFFFAOYSA-N
XLogP1.00
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(5-nitrothiophene-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617239
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
methyl 4-[(6-bromopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115669882
N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]thiadiazole-5-carboxamide
CID 130748133
methyl 4-[(4-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617198
methyl 4-[(4-iodobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617185
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
N-(2-hydroxycyclohexyl)thiadiazole-5-carboxamide
CID 62358685
methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67185079
methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617093
methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 113248111

Frequently Asked Questions

What is the IUPAC name of methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate (CID 113232923) is methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2cnns2)CC1.
What is the InChIKey of methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate?
The InChIKey is MYTYWONEWATLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-17-11(16)7-2-4-8(5-3-7)13-10(15)9-6-12-14-18-9/h6-8H,2-5H2,1H3,(H,13,15).
What are the key properties of methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate?
methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(thiadiazole-5-carbonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 113232923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).