trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C13H19N3O3S — CID 681918

IUPACtrans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1nnc(NC(=O)[C@H]2CC[C@@](C)(C(=O)O)C2(C)C)s1
InChIInChI=1S/C13H19N3O3S/c1-7-15-16-11(20-7)14-9(17)8-5-6-13(4,10(18)19)12(8,2)3/h8H,5-6H2,1-4H3,(H,18,19)(H,14,16,17)/t8-,13+/m1/s1
InChIKeyRRCVKNDENKFZJJ-OQPBUACISA-N
MW297.38 g/mol
LogP2.31
Rot. Bonds3

About trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 681918) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID681918
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nametrans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1nnc(NC(=O)[C@H]2CC[C@@](C)(C(=O)O)C2(C)C)s1
InChIInChI=1S/C13H19N3O3S/c1-7-15-16-11(20-7)14-9(17)8-5-6-13(4,10(18)19)12(8,2)3/h8H,5-6H2,1-4H3,(H,18,19)(H,14,16,17)/t8-,13+/m1/s1
InChIKeyRRCVKNDENKFZJJ-OQPBUACISA-N
XLogP2.31
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 681918) is trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is Cc1nnc(NC(=O)[C@H]2CC[C@@](C)(C(=O)O)C2(C)C)s1.
What is the InChIKey of trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is RRCVKNDENKFZJJ-OQPBUACISA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-7-15-16-11(20-7)14-9(17)8-5-6-13(4,10(18)19)12(8,2)3/h8H,5-6H2,1-4H3,(H,18,19)(H,14,16,17)/t8-,13+/m1/s1.
What are the key properties of trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 681918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).