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

C6H8ClN3OS — CID 139596723

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea
SMILESCN(Cc1cnc(Cl)s1)C(N)=O
InChIInChI=1S/C6H8ClN3OS/c1-10(6(8)11)3-4-2-9-5(7)12-4/h2H,3H2,1H3,(H2,8,11)
InChIKeyQAHSBLXOEAMQPR-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.31
Rot. Bonds2

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea (PubChem CID 139596723) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea
PubChem CID139596723
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea
SMILESCN(Cc1cnc(Cl)s1)C(N)=O
InChIInChI=1S/C6H8ClN3OS/c1-10(6(8)11)3-4-2-9-5(7)12-4/h2H,3H2,1H3,(H2,8,11)
InChIKeyQAHSBLXOEAMQPR-UHFFFAOYSA-N
XLogP1.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.31
H-Bond Donors ≤ 51
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
[(2-Chloro-1,3-thiazol-5-yl)methyl]urea
CID 53236471
3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one
CID 102188274
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
N-[(2-chloro-1,3-thiazol-5-yl)methyl]acetamide
CID 70658762
1-(1,3-Thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 104577633
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115591288
3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboxamide
CID 132293507

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea (CID 139596723) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea is CN(Cc1cnc(Cl)s1)C(N)=O.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea?
The InChIKey is QAHSBLXOEAMQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c1-10(6(8)11)3-4-2-9-5(7)12-4/h2H,3H2,1H3,(H2,8,11).
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea has a molecular weight of 205.67 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea is sourced from PubChem (CID 139596723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).