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

C11H16ClN3O3S — CID 47370438

IUPACmethyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCCNC(=O)CN(C)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C11H16ClN3O3S/c1-4-5-13-7(16)6-15(2)11-14-9(12)8(19-11)10(17)18-3/h4-6H2,1-3H3,(H,13,16)
InChIKeyBBYDAXXMQFAJGZ-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.55
Rot. Bonds6

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

methyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 47370438) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is methyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID47370438
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Namemethyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCCNC(=O)CN(C)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C11H16ClN3O3S/c1-4-5-13-7(16)6-15(2)11-14-9(12)8(19-11)10(17)18-3/h4-6H2,1-3H3,(H,13,16)
InChIKeyBBYDAXXMQFAJGZ-UHFFFAOYSA-N
XLogP1.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.55
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-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate (CID 47370438) is methyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate is CCCNC(=O)CN(C)c1nc(Cl)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is BBYDAXXMQFAJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-4-5-13-7(16)6-15(2)11-14-9(12)8(19-11)10(17)18-3/h4-6H2,1-3H3,(H,13,16).
What are the key properties of methyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 305.79 g/mol, XLogP of 1.55, 6 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-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47370438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).