methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate

C13H15ClN2O2S2 — CID 78962826

IUPACmethyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC(C)(C)c2cccs2)nc1Cl
InChIInChI=1S/C13H15ClN2O2S2/c1-13(2,8-5-4-6-19-8)7-15-12-16-10(14)9(20-12)11(17)18-3/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyKEZOJUFAOGRDOH-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.03
Rot. Bonds5

About methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 78962826) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID78962826
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Namemethyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC(C)(C)c2cccs2)nc1Cl
InChIInChI=1S/C13H15ClN2O2S2/c1-13(2,8-5-4-6-19-8)7-15-12-16-10(14)9(20-12)11(17)18-3/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyKEZOJUFAOGRDOH-UHFFFAOYSA-N
XLogP4.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

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methyl 4-chloro-2-[(2-hydroxyphenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 103894493
methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
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methyl 4-chloro-2-[[(2R)-2-hydroxypropyl]amino]-1,3-thiazole-5-carboxylate
CID 93314166
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CID 64597021
methyl 4-chloro-2-(furan-3-ylmethylamino)-1,3-thiazole-5-carboxylate
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methyl 4-chloro-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 107854329
methyl 4-chloro-2-[[2-(ethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate (CID 78962826) is methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCC(C)(C)c2cccs2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is KEZOJUFAOGRDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-13(2,8-5-4-6-19-8)7-15-12-16-10(14)9(20-12)11(17)18-3/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 330.86 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 78962826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).