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

C9H13ClN2O2S — CID 60845621

IUPACmethyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCCN(C)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C9H13ClN2O2S/c1-4-5-12(2)9-11-7(10)6(15-9)8(13)14-3/h4-5H2,1-3H3
InChIKeyJJWDJLVJLSWBKD-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.43
Rot. Bonds4

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

methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 60845621) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID60845621
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Namemethyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCCN(C)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C9H13ClN2O2S/c1-4-5-12(2)9-11-7(10)6(15-9)8(13)14-3/h4-5H2,1-3H3
InChIKeyJJWDJLVJLSWBKD-UHFFFAOYSA-N
XLogP2.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate
CID 80707719
methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
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methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 62003650
methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate
CID 61450412
methyl 2-[bis(3-methylbutyl)amino]-4-chloro-1,3-thiazole-5-carboxylate
CID 107870637
methyl 4-chloro-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 63706083
methyl 2-[butan-2-yl(2-methoxyethyl)amino]-4-chloro-1,3-thiazole-5-carboxylate
CID 55000172
methyl 4-chloro-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-thiazole-5-carboxylate
CID 114951069
methyl 2-[bis(cyanomethyl)amino]-4-chloro-1,3-thiazole-5-carboxylate
CID 60823083
methyl 4-chloro-2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate
CID 133431019
methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate
CID 47376983
methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate
CID 61450285

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate (CID 60845621) is methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate is CCCN(C)c1nc(Cl)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is JJWDJLVJLSWBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-4-5-12(2)9-11-7(10)6(15-9)8(13)14-3/h4-5H2,1-3H3.
What are the key properties of methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 248.73 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 60845621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).