(2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

C7H9N3O3S — CID 28777810

IUPAC(2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C7H9N3O3S/c1-3-5(14-10-9-3)6(11)8-4(2)7(12)13/h4H,1-2H3,(H,8,11)(H,12,13)/t4-/m1/s1
InChIKeySCAWXLKKVPFFFZ-SCSAIBSYSA-N
MW215.23 g/mol
LogP0.05
Rot. Bonds3

About (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid

(2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (PubChem CID 28777810) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
PubChem CID28777810
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name(2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nnsc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C7H9N3O3S/c1-3-5(14-10-9-3)6(11)8-4(2)7(12)13/h4H,1-2H3,(H,8,11)(H,12,13)/t4-/m1/s1
InChIKeySCAWXLKKVPFFFZ-SCSAIBSYSA-N
XLogP0.05
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
CID 91651649
4-(difluoromethyl)-N-propan-2-ylthiadiazole-5-carboxamide
CID 142383518
2-[(4-Methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261804
3,3,3-Trifluoro-2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
CID 79793534
4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576669
4-methyl-N-(2-methylpropyl)thiadiazole-5-carboxamide
CID 7576675
4-methyl-N-propan-2-ylthiadiazole-5-carboxamide
CID 7576688
4-methyl-N-pentylthiadiazole-5-carboxamide
CID 7576690
N-butyl-4-methylthiadiazole-5-carboxamide
CID 20383917
N-cyclopropyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 20383919
N-(2-aminoethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 33699234

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid (CID 28777810) is (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is Cc1nnsc1C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is SCAWXLKKVPFFFZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-3-5(14-10-9-3)6(11)8-4(2)7(12)13/h4H,1-2H3,(H,8,11)(H,12,13)/t4-/m1/s1.
What are the key properties of (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid?
(2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 215.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28777810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).