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

C13H14N2O2S2 — CID 62765637

IUPAC2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(Cc2ccsc2)C2CC2)sc1C(=O)O
InChIInChI=1S/C13H14N2O2S2/c1-8-11(12(16)17)19-13(14-8)15(10-2-3-10)6-9-4-5-18-7-9/h4-5,7,10H,2-3,6H2,1H3,(H,16,17)
InChIKeyTVRWZJWCKONCKE-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.38
Rot. Bonds5

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

2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765637) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765637
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(Cc2ccsc2)C2CC2)sc1C(=O)O
InChIInChI=1S/C13H14N2O2S2/c1-8-11(12(16)17)19-13(14-8)15(10-2-3-10)6-9-4-5-18-7-9/h4-5,7,10H,2-3,6H2,1H3,(H,16,17)
InChIKeyTVRWZJWCKONCKE-UHFFFAOYSA-N
XLogP3.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380172
4-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61434422
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509030
1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]phenyl]ethanone
CID 61434320
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 63231251
2-amino-5-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61438876
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-5-fluorobenzoic acid
CID 61434471
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 107510098
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729453
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62766334
4-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 63513805
2-[(4-ethylcyclohexyl)-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765134

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 62765637) is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(N(Cc2ccsc2)C2CC2)sc1C(=O)O.
What is the InChIKey of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is TVRWZJWCKONCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-8-11(12(16)17)19-13(14-8)15(10-2-3-10)6-9-4-5-18-7-9/h4-5,7,10H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).