1-(10H-phenothiazin-1-yl)-3-phenylurea

C19H15N3OS — CID 139973448

IUPAC1-(10H-phenothiazin-1-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C19H15N3OS/c23-19(20-13-7-2-1-3-8-13)22-15-10-6-12-17-18(15)21-14-9-4-5-11-16(14)24-17/h1-12,21H,(H2,20,22,23)
InChIKeyLEPSKYRYDMFFGY-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.54
Rot. Bonds2

About 1-(10H-phenothiazin-1-yl)-3-phenylurea

1-(10H-phenothiazin-1-yl)-3-phenylurea (PubChem CID 139973448) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-(10H-phenothiazin-1-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(10H-phenothiazin-1-yl)-3-phenylurea
PubChem CID139973448
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name1-(10H-phenothiazin-1-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C19H15N3OS/c23-19(20-13-7-2-1-3-8-13)22-15-10-6-12-17-18(15)21-14-9-4-5-11-16(14)24-17/h1-12,21H,(H2,20,22,23)
InChIKeyLEPSKYRYDMFFGY-UHFFFAOYSA-N
XLogP5.54
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
CID 156694386
N-[4-(4-iodophenyl)phenyl]-10H-phenothiazin-1-amine
CID 139958845
N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
diphenylmethanone;10H-phenothiazine
CID 175143888
1-(2-phenylethyl)-10H-phenothiazine
CID 141163863
1-[6-(10H-phenothiazin-1-yl)hexyl]-10H-phenothiazine
CID 141242278
(2-amino-10H-phenothiazin-1-yl)-phenylmethanone
CID 141187611
1-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-3-phenylurea
CID 2820270
(4-bromophenyl)-(10H-phenothiazin-1-yl)methanone
CID 175273870
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909
10H-phenothiazine-1,2-diol
CID 19596784

Frequently Asked Questions

What is the IUPAC name of 1-(10H-phenothiazin-1-yl)-3-phenylurea?
The IUPAC name of 1-(10H-phenothiazin-1-yl)-3-phenylurea (CID 139973448) is 1-(10H-phenothiazin-1-yl)-3-phenylurea.
What is the SMILES notation for 1-(10H-phenothiazin-1-yl)-3-phenylurea?
The canonical SMILES for 1-(10H-phenothiazin-1-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 1-(10H-phenothiazin-1-yl)-3-phenylurea?
The InChIKey is LEPSKYRYDMFFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-19(20-13-7-2-1-3-8-13)22-15-10-6-12-17-18(15)21-14-9-4-5-11-16(14)24-17/h1-12,21H,(H2,20,22,23).
What are the key properties of 1-(10H-phenothiazin-1-yl)-3-phenylurea?
1-(10H-phenothiazin-1-yl)-3-phenylurea has a molecular weight of 333.42 g/mol, XLogP of 5.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10H-phenothiazin-1-yl)-3-phenylurea is sourced from PubChem (CID 139973448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).