methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate

C9H13N3O3S — CID 3236752

IUPACmethyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C9H13N3O3S/c1-5-6(7(13)12(2)3)16-8(10-5)11-9(14)15-4/h1-4H3,(H,10,11,14)
InChIKeyKIXNKNWVJCQBBX-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.33
Rot. Bonds2

About methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate

methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate (PubChem CID 3236752) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate
PubChem CID3236752
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Namemethyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C9H13N3O3S/c1-5-6(7(13)12(2)3)16-8(10-5)11-9(14)15-4/h1-4H3,(H,10,11,14)
InChIKeyKIXNKNWVJCQBBX-UHFFFAOYSA-N
XLogP1.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate (CID 3236752) is methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(C)c(C(=O)N(C)C)s1.
What is the InChIKey of methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is KIXNKNWVJCQBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-5-6(7(13)12(2)3)16-8(10-5)11-9(14)15-4/h1-4H3,(H,10,11,14).
What are the key properties of methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate?
methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 243.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 3236752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).