1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride

C14H13Cl2N3OS — CID 175170156

IUPAC1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride
SMILESCl.Cl.NC(=O)N(c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C14H11N3OS.2ClH/c15-13(18)17(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)19-14;;/h1-9H,(H2,15,18);2*1H
InChIKeyUOUFHZISTUINHO-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.36
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride

1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride (PubChem CID 175170156) has the molecular formula C14H13Cl2N3OS and a molecular weight of 342.25 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride
PubChem CID175170156
Molecular FormulaC14H13Cl2N3OS
Molecular Weight342.25 g/mol
Exact Mass341.02
IUPAC Name1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride
SMILESCl.Cl.NC(=O)N(c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C14H11N3OS.2ClH/c15-13(18)17(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)19-14;;/h1-9H,(H2,15,18);2*1H
InChIKeyUOUFHZISTUINHO-UHFFFAOYSA-N
XLogP4.36
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 9166952
1,1-diphenylurea
CID 174849888
1-(1,3-benzothiazol-2-yl)-1,2-bis(4-methylphenyl)guanidine
CID 22501757
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide
CID 2477898
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 8696722
N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
CID 168757730
methyl N-amino-N-(1,3-benzothiazol-2-yl)carbamate
CID 77174878
(E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 7947698
N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 2354057
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide
CID 11280885
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2467124
4-N-(1,3-benzothiazol-2-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 166918017

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride (CID 175170156) is 1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride is Cl.Cl.NC(=O)N(c1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride?
The InChIKey is UOUFHZISTUINHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS.2ClH/c15-13(18)17(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)19-14;;/h1-9H,(H2,15,18);2*1H.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride?
1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride has a molecular weight of 342.25 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride is sourced from PubChem (CID 175170156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).