methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate

C10H15N3O2S — CID 59524859

IUPACmethyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(N)s2)CC1
InChIInChI=1S/C10H15N3O2S/c1-15-9(14)7-4-2-6(3-5-7)8-12-13-10(11)16-8/h6-7H,2-5H2,1H3,(H2,11,13)
InChIKeyWOAQNORTLUNNKV-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.57
Rot. Bonds2

About methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate

methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate (PubChem CID 59524859) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate
PubChem CID59524859
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(N)s2)CC1
InChIInChI=1S/C10H15N3O2S/c1-15-9(14)7-4-2-6(3-5-7)8-12-13-10(11)16-8/h6-7H,2-5H2,1H3,(H2,11,13)
InChIKeyWOAQNORTLUNNKV-UHFFFAOYSA-N
XLogP1.57
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate (CID 59524859) is methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nnc(N)s2)CC1.
What is the InChIKey of methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate?
The InChIKey is WOAQNORTLUNNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-9(14)7-4-2-6(3-5-7)8-12-13-10(11)16-8/h6-7H,2-5H2,1H3,(H2,11,13).
What are the key properties of methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate?
methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 59524859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).