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

C13H19N3O3S — CID 681919

IUPACcis-(1R,3R)-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-/m0/s1
InChIKeyRRCVKNDENKFZJJ-SDBXPKJASA-N
MW297.38 g/mol
LogP2.31
Rot. Bonds3

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

cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 681919) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID681919
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Namecis-(1R,3R)-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-/m0/s1
InChIKeyRRCVKNDENKFZJJ-SDBXPKJASA-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 cis-(1R,3R)-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

Related Compounds

trans-(1R,3S)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 681918
cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate
CID 6920772
2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 139221869
trans-(1S,3R)-3-[(2-hydroxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 764296
3-(dimethylaminocarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 3114926
cis-(1R,2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2169381
cis-(1R,3R)-1,2,2-trimethyl-3-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 40646581
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102689028
3-[(3-chlorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 15468644
(1R)-2,2-dibromo-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 7028535
2-fluoro-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 126794162
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107186280

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 681919) is cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-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 cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is RRCVKNDENKFZJJ-SDBXPKJASA-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-/m0/s1.
What are the key properties of cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,3R)-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 cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 681919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).