2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C13H17N3O3S — CID 102889857

IUPAC2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCc1cnc(NC(=O)N2CC3CCCC3C2C(=O)O)s1
InChIInChI=1S/C13H17N3O3S/c1-7-5-14-12(20-7)15-13(19)16-6-8-3-2-4-9(8)10(16)11(17)18/h5,8-10H,2-4,6H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyHRYVLSCVKSBPQO-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.17
Rot. Bonds2

About 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102889857) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102889857
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCc1cnc(NC(=O)N2CC3CCCC3C2C(=O)O)s1
InChIInChI=1S/C13H17N3O3S/c1-7-5-14-12(20-7)15-13(19)16-6-8-3-2-4-9(8)10(16)11(17)18/h5,8-10H,2-4,6H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyHRYVLSCVKSBPQO-UHFFFAOYSA-N
XLogP2.17
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 107642586
2-(pyrimidin-2-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889846
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382851
2-[(4-bromophenyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889859
4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904543
2-(4-methyl-1,3-thiazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891144
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2969362
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
(3S,3aR,6aS)-2-[2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129469133

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102889857) is 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is Cc1cnc(NC(=O)N2CC3CCCC3C2C(=O)O)s1.
What is the InChIKey of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is HRYVLSCVKSBPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-7-5-14-12(20-7)15-13(19)16-6-8-3-2-4-9(8)10(16)11(17)18/h5,8-10H,2-4,6H2,1H3,(H,17,18)(H,14,15,19).
What are the key properties of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102889857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).