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

C12H18ClN3O2S — CID 54926723

IUPACmethyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C2CCN(C)CC2)nc1Cl
InChIInChI=1S/C12H18ClN3O2S/c1-15-6-4-8(5-7-15)16(2)12-14-10(13)9(19-12)11(17)18-3/h8H,4-7H2,1-3H3
InChIKeyAHPQSGSAXQYRPA-UHFFFAOYSA-N
MW303.82 g/mol
LogP2.11
Rot. Bonds3

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

methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 54926723) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.82 g/mol. Its IUPAC name is methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID54926723
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.82 g/mol
Exact Mass303.08
IUPAC Namemethyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C2CCN(C)CC2)nc1Cl
InChIInChI=1S/C12H18ClN3O2S/c1-15-6-4-8(5-7-15)16(2)12-14-10(13)9(19-12)11(17)18-3/h8H,4-7H2,1-3H3
InChIKeyAHPQSGSAXQYRPA-UHFFFAOYSA-N
XLogP2.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate
CID 61450285
methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate
CID 115423333
methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 82747995
4-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylic acid
CID 80687645
methyl 4-chloro-2-[cyclopropyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylate
CID 78974481
methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 60843891
methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 62003650
methyl 4-chloro-2-(4-cyano-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 62982034
methyl 4-chloro-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 63706083
methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate
CID 60845621
methyl 4-chloro-2-[2-cyanoethyl(cyclopropyl)amino]-1,3-thiazole-5-carboxylate
CID 54997228
methyl 2-[bis(3-methylbutyl)amino]-4-chloro-1,3-thiazole-5-carboxylate
CID 107870637

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate (CID 54926723) is methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)C2CCN(C)CC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is AHPQSGSAXQYRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-15-6-4-8(5-7-15)16(2)12-14-10(13)9(19-12)11(17)18-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 303.82 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 54926723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).