ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate

C13H20N2O2S — CID 80569174

IUPACethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCCN(CC1CC1)c1nc(C(=O)OCC)cs1
InChIInChI=1S/C13H20N2O2S/c1-3-7-15(8-10-5-6-10)13-14-11(9-18-13)12(16)17-4-2/h9-10H,3-8H2,1-2H3
InChIKeyBBVBRDXHSDIDKB-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.95
Rot. Bonds7

About ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 80569174) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID80569174
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nameethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCCN(CC1CC1)c1nc(C(=O)OCC)cs1
InChIInChI=1S/C13H20N2O2S/c1-3-7-15(8-10-5-6-10)13-14-11(9-18-13)12(16)17-4-2/h9-10H,3-8H2,1-2H3
InChIKeyBBVBRDXHSDIDKB-UHFFFAOYSA-N
XLogP2.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526609
ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568734
ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 80568326
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 80567825
ethyl 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568633
ethyl 2-(5-iodo-2-methyl-N-propylanilino)-1,3-thiazole-4-carboxylate
CID 168985808
1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]-2-chloroethanone
CID 113392238
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 2-(N-carbamoyl-5-cyclopropyl-2-methylanilino)-1,3-thiazole-4-carboxylate
CID 68798931
ethyl 2-[[(1R,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-cyclopropylamino]-1,3-thiazole-4-carboxylate
CID 98351769
ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568405
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate (CID 80569174) is ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate is CCCN(CC1CC1)c1nc(C(=O)OCC)cs1.
What is the InChIKey of ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is BBVBRDXHSDIDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-7-15(8-10-5-6-10)13-14-11(9-18-13)12(16)17-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80569174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).