2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

C15H18N2O2S2 — CID 62766335

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(Cc2cccs2)C2CC2)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S2/c1-2-4-12-13(14(18)19)21-15(16-12)17(10-6-7-10)9-11-5-3-8-20-11/h3,5,8,10H,2,4,6-7,9H2,1H3,(H,18,19)
InChIKeyJHTFXEBVGNCIEC-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.02
Rot. Bonds7

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62766335) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID62766335
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(Cc2cccs2)C2CC2)sc1C(=O)O
InChIInChI=1S/C15H18N2O2S2/c1-2-4-12-13(14(18)19)21-15(16-12)17(10-6-7-10)9-11-5-3-8-20-11/h3,5,8,10H,2,4,6-7,9H2,1H3,(H,18,19)
InChIKeyJHTFXEBVGNCIEC-UHFFFAOYSA-N
XLogP4.02
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62766334
2-[cyclohexyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765774
ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568405
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 113387731
4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663483
2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765123
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 114214176
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
CID 62515880
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62752585
5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280123
2-(N,2-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766149
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765637

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 62766335) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N(Cc2cccs2)C2CC2)sc1C(=O)O.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is JHTFXEBVGNCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-2-4-12-13(14(18)19)21-15(16-12)17(10-6-7-10)9-11-5-3-8-20-11/h3,5,8,10H,2,4,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 322.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62766335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).