1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea

C7H12N4O3S2 — CID 97252839

IUPAC1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea
SMILESC[C@@H](CNC(=O)Nc1nccs1)S(N)(=O)=O
InChIInChI=1S/C7H12N4O3S2/c1-5(16(8,13)14)4-10-6(12)11-7-9-2-3-15-7/h2-3,5H,4H2,1H3,(H2,8,13,14)(H2,9,10,11,12)/t5-/m0/s1
InChIKeyRIJXFJNMSJKLGO-YFKPBYRVSA-N
MW264.33 g/mol
LogP-0.06
Rot. Bonds4

About 1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea

1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 97252839) has the molecular formula C7H12N4O3S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID97252839
Molecular FormulaC7H12N4O3S2
Molecular Weight264.33 g/mol
Exact Mass264.04
IUPAC Name1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea
SMILESC[C@@H](CNC(=O)Nc1nccs1)S(N)(=O)=O
InChIInChI=1S/C7H12N4O3S2/c1-5(16(8,13)14)4-10-6(12)11-7-9-2-3-15-7/h2-3,5H,4H2,1H3,(H2,8,13,14)(H2,9,10,11,12)/t5-/m0/s1
InChIKeyRIJXFJNMSJKLGO-YFKPBYRVSA-N
XLogP-0.06
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea (CID 97252839) is 1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea is C[C@@H](CNC(=O)Nc1nccs1)S(N)(=O)=O.
What is the InChIKey of 1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is RIJXFJNMSJKLGO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N4O3S2/c1-5(16(8,13)14)4-10-6(12)11-7-9-2-3-15-7/h2-3,5H,4H2,1H3,(H2,8,13,14)(H2,9,10,11,12)/t5-/m0/s1.
What are the key properties of 1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea?
1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 264.33 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-sulfamoylpropyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 97252839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).