molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate

C5H8N2O2S — CID 143737487

IUPACmolecular hydrogen;1,3-thiazol-2-ylmethyl carbamate
SMILESNC(=O)OCc1nccs1.[H][H]
InChIInChI=1S/C5H6N2O2S.H2/c6-5(8)9-3-4-7-1-2-10-4;/h1-2H,3H2,(H2,6,8);1H
InChIKeyMRAWYWQKTUPLQP-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.98
Rot. Bonds2

About molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate

molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate (PubChem CID 143737487) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate.

Molecular Properties

Compound Namemolecular hydrogen;1,3-thiazol-2-ylmethyl carbamate
PubChem CID143737487
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Namemolecular hydrogen;1,3-thiazol-2-ylmethyl carbamate
SMILESNC(=O)OCc1nccs1.[H][H]
InChIInChI=1S/C5H6N2O2S.H2/c6-5(8)9-3-4-7-1-2-10-4;/h1-2H,3H2,(H2,6,8);1H
InChIKeyMRAWYWQKTUPLQP-UHFFFAOYSA-N
XLogP0.98
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate?
The IUPAC name of molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate (CID 143737487) is molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate.
What is the SMILES notation for molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate?
The canonical SMILES for molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate is NC(=O)OCc1nccs1.[H][H].
What is the InChIKey of molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate?
The InChIKey is MRAWYWQKTUPLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S.H2/c6-5(8)9-3-4-7-1-2-10-4;/h1-2H,3H2,(H2,6,8);1H.
What are the key properties of molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate?
molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate has a molecular weight of 160.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate is sourced from PubChem (CID 143737487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).