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

C14H16N2O2S2 — CID 80568405

IUPACethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C14H16N2O2S2/c1-2-18-13(17)12-9-20-14(15-12)16(10-5-6-10)8-11-4-3-7-19-11/h3-4,7,9-10H,2,5-6,8H2,1H3
InChIKeyXSILFTPMLOPEFB-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.55
Rot. Bonds6

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

ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 80568405) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID80568405
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Nameethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C14H16N2O2S2/c1-2-18-13(17)12-9-20-14(15-12)16(10-5-6-10)8-11-4-3-7-19-11/h3-4,7,9-10H,2,5-6,8H2,1H3
InChIKeyXSILFTPMLOPEFB-UHFFFAOYSA-N
XLogP3.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 80568326
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62766334
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766335
2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568359
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate
CID 167466268
ethyl 2-[[cyclohexyl(thiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196655
5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280123
ethyl 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568633
ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate
CID 80569174
ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568734
ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568223
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate (CID 80568405) is ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N(Cc2cccs2)C2CC2)n1.
What is the InChIKey of ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is XSILFTPMLOPEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-2-18-13(17)12-9-20-14(15-12)16(10-5-6-10)8-11-4-3-7-19-11/h3-4,7,9-10H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 308.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).