(2-chloro-1,3-thiazol-5-yl)methyl carbamate

C5H5ClN2O2S — CID 126697211

IUPAC(2-chloro-1,3-thiazol-5-yl)methyl carbamate
SMILESNC(=O)OCc1cnc(Cl)s1
InChIInChI=1S/C5H5ClN2O2S/c6-4-8-1-3(11-4)2-10-5(7)9/h1H,2H2,(H2,7,9)
InChIKeyFMHKOGCWLCNZBC-UHFFFAOYSA-N
MW192.63 g/mol
LogP1.39
Rot. Bonds2

About (2-chloro-1,3-thiazol-5-yl)methyl carbamate

(2-chloro-1,3-thiazol-5-yl)methyl carbamate (PubChem CID 126697211) has the molecular formula C5H5ClN2O2S and a molecular weight of 192.63 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl)methyl carbamate.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl)methyl carbamate
PubChem CID126697211
Molecular FormulaC5H5ClN2O2S
Molecular Weight192.63 g/mol
Exact Mass191.98
IUPAC Name(2-chloro-1,3-thiazol-5-yl)methyl carbamate
SMILESNC(=O)OCc1cnc(Cl)s1
InChIInChI=1S/C5H5ClN2O2S/c6-4-8-1-3(11-4)2-10-5(7)9/h1H,2H2,(H2,7,9)
InChIKeyFMHKOGCWLCNZBC-UHFFFAOYSA-N
XLogP1.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.63
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-5-yl)methyl carbamate?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl)methyl carbamate (CID 126697211) is (2-chloro-1,3-thiazol-5-yl)methyl carbamate.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl)methyl carbamate?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl)methyl carbamate is NC(=O)OCc1cnc(Cl)s1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl)methyl carbamate?
The InChIKey is FMHKOGCWLCNZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2S/c6-4-8-1-3(11-4)2-10-5(7)9/h1H,2H2,(H2,7,9).
What are the key properties of (2-chloro-1,3-thiazol-5-yl)methyl carbamate?
(2-chloro-1,3-thiazol-5-yl)methyl carbamate has a molecular weight of 192.63 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-5-yl)methyl carbamate is sourced from PubChem (CID 126697211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).