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

C14H16N2O2S2 — CID 62766334

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(Cc2cccs2)C2CC2)sc1C(=O)O
InChIInChI=1S/C14H16N2O2S2/c1-2-11-12(13(17)18)20-14(15-11)16(9-5-6-9)8-10-4-3-7-19-10/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyGHWHKKUURGEHTF-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.63
Rot. Bonds6

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

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62766334) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID62766334
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(Cc2cccs2)C2CC2)sc1C(=O)O
InChIInChI=1S/C14H16N2O2S2/c1-2-11-12(13(17)18)20-14(15-11)16(9-5-6-9)8-10-4-3-7-19-10/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyGHWHKKUURGEHTF-UHFFFAOYSA-N
XLogP3.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766335
2-[cyclopropyl(3-methylbutyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 78917261
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
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 114214176
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
CID 62515880
5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280123
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765637
4-ethyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 62763927
N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133335275
2-bromo-6-[cyclopropyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 114888164

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 62766334) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(N(Cc2cccs2)C2CC2)sc1C(=O)O.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is GHWHKKUURGEHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-2-11-12(13(17)18)20-14(15-11)16(9-5-6-9)8-10-4-3-7-19-10/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 308.43 g/mol, XLogP of 3.63, 6 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-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62766334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).