2-methyl-1,3-benzothiazole;urea

C9H11N3OS — CID 161197769

IUPAC2-methyl-1,3-benzothiazole;urea
SMILESCc1nc2ccccc2s1.NC(N)=O
InChIInChI=1S/C8H7NS.CH4N2O/c1-6-9-7-4-2-3-5-8(7)10-6;2-1(3)4/h2-5H,1H3;(H4,2,3,4)
InChIKeyUUOOUOOCNRMEHJ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.63
Rot. Bonds

About 2-methyl-1,3-benzothiazole;urea

2-methyl-1,3-benzothiazole;urea (PubChem CID 161197769) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-methyl-1,3-benzothiazole;urea.

Molecular Properties

Compound Name2-methyl-1,3-benzothiazole;urea
PubChem CID161197769
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-methyl-1,3-benzothiazole;urea
SMILESCc1nc2ccccc2s1.NC(N)=O
InChIInChI=1S/C8H7NS.CH4N2O/c1-6-9-7-4-2-3-5-8(7)10-6;2-1(3)4/h2-5H,1H3;(H4,2,3,4)
InChIKeyUUOOUOOCNRMEHJ-UHFFFAOYSA-N
XLogP1.63
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1,3-benzothiazole;sulfanylurea
CID 175000494
dihydroxy(oxo)phosphanium;2-methyl-1,3-benzothiazole
CID 68800497
1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
CID 161214850
2-methyl-1,3-benzothiazole;2-methylpyridine
CID 160647860
bromomethylbenzene;2-methyl-1,3-benzothiazole
CID 161475855
acetic acid;1,3-benzothiazol-2-amine
CID 172786962
5-hydroxy-2-methylbenzenesulfonic acid;2-methyl-1,3-benzothiazole
CID 173161916
(Z)-3-amino-2-(1,3-benzothiazol-2-yl)but-2-enamide
CID 59268188
dipropan-2-yl 2-(1,3-benzothiazol-2-yl)propanedioate
CID 44721597
2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
CID 23179407
zinc;bis(1,3-benzothiazol-2-amine);diacetate
CID 139065802
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43952349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzothiazole;urea?
The IUPAC name of 2-methyl-1,3-benzothiazole;urea (CID 161197769) is 2-methyl-1,3-benzothiazole;urea.
What is the SMILES notation for 2-methyl-1,3-benzothiazole;urea?
The canonical SMILES for 2-methyl-1,3-benzothiazole;urea is Cc1nc2ccccc2s1.NC(N)=O.
What is the InChIKey of 2-methyl-1,3-benzothiazole;urea?
The InChIKey is UUOOUOOCNRMEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.CH4N2O/c1-6-9-7-4-2-3-5-8(7)10-6;2-1(3)4/h2-5H,1H3;(H4,2,3,4).
What are the key properties of 2-methyl-1,3-benzothiazole;urea?
2-methyl-1,3-benzothiazole;urea has a molecular weight of 209.27 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzothiazole;urea is sourced from PubChem (CID 161197769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).