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

C11H17ClN2O2S — CID 60843891

IUPACmethyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCC(CC)N(C)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C11H17ClN2O2S/c1-5-7(6-2)14(3)11-13-9(12)8(17-11)10(15)16-4/h7H,5-6H2,1-4H3
InChIKeyBYMAOGXJEDUUPA-UHFFFAOYSA-N
MW276.79 g/mol
LogP3.21
Rot. Bonds5

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

methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 60843891) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID60843891
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Namemethyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCC(CC)N(C)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C11H17ClN2O2S/c1-5-7(6-2)14(3)11-13-9(12)8(17-11)10(15)16-4/h7H,5-6H2,1-4H3
InChIKeyBYMAOGXJEDUUPA-UHFFFAOYSA-N
XLogP3.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate (CID 60843891) is methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate is CCC(CC)N(C)c1nc(Cl)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is BYMAOGXJEDUUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-5-7(6-2)14(3)11-13-9(12)8(17-11)10(15)16-4/h7H,5-6H2,1-4H3.
What are the key properties of methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 276.79 g/mol, XLogP of 3.21, 5 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(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 60843891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).