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

C9H12ClN3O3S — CID 47256330

IUPACmethyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
SMILESCNC(=O)CN(C)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C9H12ClN3O3S/c1-11-5(14)4-13(2)9-12-7(10)6(17-9)8(15)16-3/h4H2,1-3H3,(H,11,14)
InChIKeyNWYPWFGYXKYGSZ-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.77
Rot. Bonds4

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

methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 47256330) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID47256330
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Namemethyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
SMILESCNC(=O)CN(C)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C9H12ClN3O3S/c1-11-5(14)4-13(2)9-12-7(10)6(17-9)8(15)16-3/h4H2,1-3H3,(H,11,14)
InChIKeyNWYPWFGYXKYGSZ-UHFFFAOYSA-N
XLogP0.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate (CID 47256330) is methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate is CNC(=O)CN(C)c1nc(Cl)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is NWYPWFGYXKYGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-11-5(14)4-13(2)9-12-7(10)6(17-9)8(15)16-3/h4H2,1-3H3,(H,11,14).
What are the key properties of methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 277.73 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47256330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).