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

C9H14N2O3S — CID 79346230

IUPAC2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CN(C)C(=O)OCCO)s1
InChIInChI=1S/C9H14N2O3S/c1-7-10-5-8(15-7)6-11(2)9(13)14-4-3-12/h5,12H,3-4,6H2,1-2H3
InChIKeyVQFACYMIPQJDBL-UHFFFAOYSA-N
MW230.29 g/mol
LogP1.01
Rot. Bonds4

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

2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (PubChem CID 79346230) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
PubChem CID79346230
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CN(C)C(=O)OCCO)s1
InChIInChI=1S/C9H14N2O3S/c1-7-10-5-8(15-7)6-11(2)9(13)14-4-3-12/h5,12H,3-4,6H2,1-2H3
InChIKeyVQFACYMIPQJDBL-UHFFFAOYSA-N
XLogP1.01
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (CID 79346230) is 2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is Cc1ncc(CN(C)C(=O)OCCO)s1.
What is the InChIKey of 2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The InChIKey is VQFACYMIPQJDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-7-10-5-8(15-7)6-11(2)9(13)14-4-3-12/h5,12H,3-4,6H2,1-2H3.
What are the key properties of 2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate has a molecular weight of 230.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is sourced from PubChem (CID 79346230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).