(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride

C9H15ClN4O2S — CID 120783473

IUPAC(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride
SMILESCc1nnc(NC(=O)[C@@H]2CC[C@H](CN)O2)s1.Cl
InChIInChI=1S/C9H14N4O2S.ClH/c1-5-12-13-9(16-5)11-8(14)7-3-2-6(4-10)15-7;/h6-7H,2-4,10H2,1H3,(H,11,13,14);1H/t6-,7+;/m1./s1
InChIKeyASRVXNWPEZMQTC-HHQFNNIRSA-N
MW278.77 g/mol
LogP0.71
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120783473) has the molecular formula C9H15ClN4O2S and a molecular weight of 278.77 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride
PubChem CID120783473
Molecular FormulaC9H15ClN4O2S
Molecular Weight278.77 g/mol
Exact Mass278.06
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride
SMILESCc1nnc(NC(=O)[C@@H]2CC[C@H](CN)O2)s1.Cl
InChIInChI=1S/C9H14N4O2S.ClH/c1-5-12-13-9(16-5)11-8(14)7-3-2-6(4-10)15-7;/h6-7H,2-4,10H2,1H3,(H,11,13,14);1H/t6-,7+;/m1./s1
InChIKeyASRVXNWPEZMQTC-HHQFNNIRSA-N
XLogP0.71
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120784117
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102689028
(2S,5R)-5-(aminomethyl)-N-(2,4-dimethyl-1,3-thiazol-5-yl)oxolane-2-carboxamide
CID 120795566
(2S,5R)-5-(aminomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783691
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783043
(2S,5R)-5-(aminomethyl)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120794901
(2S,5R)-5-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120789309
(2S,5R)-5-(aminomethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783279
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 120783044
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120783563
(2S,5R)-5-(aminomethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783531

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride (CID 120783473) is (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride is Cc1nnc(NC(=O)[C@@H]2CC[C@H](CN)O2)s1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is ASRVXNWPEZMQTC-HHQFNNIRSA-N. The full InChI is InChI=1S/C9H14N4O2S.ClH/c1-5-12-13-9(16-5)11-8(14)7-3-2-6(4-10)15-7;/h6-7H,2-4,10H2,1H3,(H,11,13,14);1H/t6-,7+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 278.77 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120783473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).