(2-chloro-1,3-thiazol-5-yl)methylurea

C5H6ClN3OS — CID 53236471

IUPAC(2-chloro-1,3-thiazol-5-yl)methylurea
SMILESNC(=O)NCc1cnc(Cl)s1
InChIInChI=1S/C5H6ClN3OS/c6-4-8-1-3(11-4)2-9-5(7)10/h1H,2H2,(H3,7,9,10)
InChIKeyJPLZYOZEQJHMHP-UHFFFAOYSA-N
MW191.64 g/mol
LogP0.96
Rot. Bonds2

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

(2-chloro-1,3-thiazol-5-yl)methylurea (PubChem CID 53236471) has the molecular formula C5H6ClN3OS and a molecular weight of 191.64 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl)methylurea.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl)methylurea
PubChem CID53236471
Molecular FormulaC5H6ClN3OS
Molecular Weight191.64 g/mol
Exact Mass190.99
IUPAC Name(2-chloro-1,3-thiazol-5-yl)methylurea
SMILESNC(=O)NCc1cnc(Cl)s1
InChIInChI=1S/C5H6ClN3OS/c6-4-8-1-3(11-4)2-9-5(7)10/h1H,2H2,(H3,7,9,10)
InChIKeyJPLZYOZEQJHMHP-UHFFFAOYSA-N
XLogP0.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((2-Chloro-5-thiazolyl)methyl)-N'-methylurea
CID 71372718
N-[(2-Chloro-5-thiazolyl)methyl]-N'-methylguanidine
CID 71372509
N-Methyl-N-(2-Chloro-5-thiazolymethyl)-Urea
CID 139596723
2-Chloro-5-aminomethylthiazole
CID 10154129
(1,3-Thiazol-5-yl)methanamine hydrochloride
CID 17750968
(2-Chloro-1,3-thiazol-5-yl)methanamine hydrochloride
CID 18349540
N-(2-chlorothiazol-5-ylmethyl)-N'-nitrourea
CID 53644540
N-[(1,3-thiazol-5-yl)methyl]acetamide
CID 59473071
Thiamethoxam-desmethyl-urea
CID 132277024
1-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-1-methyl-3-prop-2-enylurea
CID 72020272
1-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-prop-2-ynylurea
CID 132283311
2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 104583481

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-5-yl)methylurea?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl)methylurea (CID 53236471) is (2-chloro-1,3-thiazol-5-yl)methylurea.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl)methylurea?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl)methylurea is NC(=O)NCc1cnc(Cl)s1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl)methylurea?
The InChIKey is JPLZYOZEQJHMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3OS/c6-4-8-1-3(11-4)2-9-5(7)10/h1H,2H2,(H3,7,9,10).
What are the key properties of (2-chloro-1,3-thiazol-5-yl)methylurea?
(2-chloro-1,3-thiazol-5-yl)methylurea has a molecular weight of 191.64 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-5-yl)methylurea is sourced from PubChem (CID 53236471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).