2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C14H17N3O3S — CID 63773948

IUPAC2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccncc1NC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H17N3O3S/c1-8-4-5-15-6-10(8)16-14(20)17-11(13(18)19)7-21-12(17)9-2-3-9/h4-6,9,11-12H,2-3,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyOSHUGIFNFNVYQI-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.16
Rot. Bonds3

About 2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63773948) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63773948
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccncc1NC(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H17N3O3S/c1-8-4-5-15-6-10(8)16-14(20)17-11(13(18)19)7-21-12(17)9-2-3-9/h4-6,9,11-12H,2-3,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyOSHUGIFNFNVYQI-UHFFFAOYSA-N
XLogP2.16
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63327691
2-cyclopropyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780361
4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430379
3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 154866117
2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116827
2-methyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744299
2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781785
2-cyclopropyl-3-(2-methylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792054
2-cyclopropyl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63779480
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63773948) is 2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ccncc1NC(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OSHUGIFNFNVYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-4-5-15-6-10(8)16-14(20)17-11(13(18)19)7-21-12(17)9-2-3-9/h4-6,9,11-12H,2-3,7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63773948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).