2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid

C10H13N3O3S — CID 43655872

IUPAC2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid
SMILESCc1nnsc1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H13N3O3S/c1-6-9(17-12-11-6)10(16)13(5-8(14)15)4-7-2-3-7/h7H,2-5H2,1H3,(H,14,15)
InChIKeyRWSFDEPLRXHFBP-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.78
Rot. Bonds5

About 2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid

2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid (PubChem CID 43655872) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid
PubChem CID43655872
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid
SMILESCc1nnsc1C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H13N3O3S/c1-6-9(17-12-11-6)10(16)13(5-8(14)15)4-7-2-3-7/h7H,2-5H2,1H3,(H,14,15)
InChIKeyRWSFDEPLRXHFBP-UHFFFAOYSA-N
XLogP0.78
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576734
N-(cyclohexylmethyl)-N-(cyclopropanecarbonyl)-4-methylthiadiazole-5-carboxamide
CID 20551682
2-[cyclopropylmethyl(thiadiazole-4-carbonyl)amino]acetic acid
CID 65214654
2-[cyclopropylmethyl-(4-methyl-1,3-oxazole-5-carbonyl)amino]acetic acid
CID 81360931
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
2-[cyclopropylmethyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 43655885
2-[cyclopropylmethyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 43655509
2-[cyclopropylmethyl(thiatriazol-5-ylcarbamoyl)amino]acetic acid
CID 114913453
2-[carboxymethyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]acetic acid
CID 65204756
4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 42566535
N-(2-chloroethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 65198931
N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 80660951

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid (CID 43655872) is 2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid is Cc1nnsc1C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid?
The InChIKey is RWSFDEPLRXHFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6-9(17-12-11-6)10(16)13(5-8(14)15)4-7-2-3-7/h7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid?
2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid has a molecular weight of 255.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(4-methylthiadiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 43655872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).