(3-methyl-1,2-thiazol-5-yl)urea

C5H7N3OS — CID 18432878

IUPAC(3-methyl-1,2-thiazol-5-yl)urea
SMILESCc1cc(NC(N)=O)sn1
InChIInChI=1S/C5H7N3OS/c1-3-2-4(10-8-3)7-5(6)9/h2H,1H3,(H3,6,7,9)
InChIKeyZRCBYHAFBRLQMH-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.94
Rot. Bonds1

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

(3-methyl-1,2-thiazol-5-yl)urea (PubChem CID 18432878) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)urea
PubChem CID18432878
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name(3-methyl-1,2-thiazol-5-yl)urea
SMILESCc1cc(NC(N)=O)sn1
InChIInChI=1S/C5H7N3OS/c1-3-2-4(10-8-3)7-5(6)9/h2H,1H3,(H3,6,7,9)
InChIKeyZRCBYHAFBRLQMH-UHFFFAOYSA-N
XLogP0.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)urea?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)urea (CID 18432878) is (3-methyl-1,2-thiazol-5-yl)urea.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)urea?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)urea is Cc1cc(NC(N)=O)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)urea?
The InChIKey is ZRCBYHAFBRLQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-3-2-4(10-8-3)7-5(6)9/h2H,1H3,(H3,6,7,9).
What are the key properties of (3-methyl-1,2-thiazol-5-yl)urea?
(3-methyl-1,2-thiazol-5-yl)urea has a molecular weight of 157.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)urea is sourced from PubChem (CID 18432878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).