2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C14H21N3O3S — CID 106975429

IUPAC2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCC1(C(=O)NCCc2nc(C(=O)O)cs2)CCCN1
InChIInChI=1S/C14H21N3O3S/c1-2-5-14(6-3-7-16-14)13(20)15-8-4-11-17-10(9-21-11)12(18)19/h9,16H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyFLDPBDTYVMDFTM-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.42
Rot. Bonds7

About 2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106975429) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106975429
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCC1(C(=O)NCCc2nc(C(=O)O)cs2)CCCN1
InChIInChI=1S/C14H21N3O3S/c1-2-5-14(6-3-7-16-14)13(20)15-8-4-11-17-10(9-21-11)12(18)19/h9,16H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyFLDPBDTYVMDFTM-UHFFFAOYSA-N
XLogP1.42
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975529
N-octyl-2-propylpyrrolidine-2-carboxamide
CID 106975640
4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
CID 106974808
2-[2-[(4-propylpyrimidine-5-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 122558408
N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975806
2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373894
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974990
2-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374838
2-[2-(5-methylhexan-2-ylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372628
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945
4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 106975362

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 106975429) is 2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is CCCC1(C(=O)NCCc2nc(C(=O)O)cs2)CCCN1.
What is the InChIKey of 2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FLDPBDTYVMDFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-5-14(6-3-7-16-14)13(20)15-8-4-11-17-10(9-21-11)12(18)19/h9,16H,2-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-propylpyrrolidine-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106975429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).