1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea

C16H15N3OS — CID 46267438

IUPAC1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H15N3OS/c1-2-11-7-9-12(10-8-11)17-15(20)19-16-18-13-5-3-4-6-14(13)21-16/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChIKeyCTNYVXCMWHWNNN-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.50
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea

1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea (PubChem CID 46267438) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea
PubChem CID46267438
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H15N3OS/c1-2-11-7-9-12(10-8-11)17-15(20)19-16-18-13-5-3-4-6-14(13)21-16/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChIKeyCTNYVXCMWHWNNN-UHFFFAOYSA-N
XLogP4.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea
CID 86844358
1-(1,3-benzothiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 175678594
1-(1,3-benzothiazol-2-yl)-3-methylurea;molecular hydrogen
CID 143832534
N-[6-[(4-ethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
CID 46325926
1-[[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]amino]-3-(4-ethylphenyl)urea
CID 27522356
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
CID 834850
1-(1,3-benzothiazol-2-yl)-3-(trideuteriomethyl)urea
CID 163322182
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-ethylphenyl)propanamide
CID 7865177
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
2-(1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)ethanone
CID 28934966
1-(1,3-benzothiazol-2-yl)-3-octylurea
CID 5018517
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 8801536

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea (CID 46267438) is 1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea?
The InChIKey is CTNYVXCMWHWNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-11-7-9-12(10-8-11)17-15(20)19-16-18-13-5-3-4-6-14(13)21-16/h3-10H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea?
1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea has a molecular weight of 297.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea is sourced from PubChem (CID 46267438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).