(1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea

C11H11N3OS — CID 6374665

IUPAC(1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea
SMILESCn1ccs/c1=N\C(=O)Nc1ccccc1
InChIInChI=1S/C11H11N3OS/c1-14-7-8-16-11(14)13-10(15)12-9-5-3-2-4-6-9/h2-8H,1H3,(H,12,15)/b13-11-
InChIKeyKWALDNQIQIFHQI-QBFSEMIESA-N
MW233.30 g/mol
LogP2.22
Rot. Bonds1

About (1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea

(1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea (PubChem CID 6374665) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is (1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea.

Molecular Properties

Compound Name(1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea
PubChem CID6374665
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name(1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea
SMILESCn1ccs/c1=N\C(=O)Nc1ccccc1
InChIInChI=1S/C11H11N3OS/c1-14-7-8-16-11(14)13-10(15)12-9-5-3-2-4-6-9/h2-8H,1H3,(H,12,15)/b13-11-
InChIKeyKWALDNQIQIFHQI-QBFSEMIESA-N
XLogP2.22
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiazoline, 2-anilino-
CID 70521
N-(4-Fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 610851
5-Methyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383595
Buprofezin metabolite BF19
CID 139598142
3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440663
N-[3-methyl-1,3-thiazol-2(3H)-yliden]-N'-[3-(trifluoromethyl)phenyl]urea
CID 5900980
1-Benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 562408
N,N'-Diphenyl-N'-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea
CID 650974
N,N-dimethyl-N'-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 659068
4-methyl-1-phenyl-2,3-dihydro-1H-imidazol-2-one
CID 21822442
1-(4,5-Dihydrothiazol-2-yl)-3-phenylurea
CID 773295
1-Benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 917499

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea?
The IUPAC name of (1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea (CID 6374665) is (1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea.
What is the SMILES notation for (1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea?
The canonical SMILES for (1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea is Cn1ccs/c1=N\C(=O)Nc1ccccc1.
What is the InChIKey of (1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea?
The InChIKey is KWALDNQIQIFHQI-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11N3OS/c1-14-7-8-16-11(14)13-10(15)12-9-5-3-2-4-6-9/h2-8H,1H3,(H,12,15)/b13-11-.
What are the key properties of (1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea?
(1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea has a molecular weight of 233.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea is sourced from PubChem (CID 6374665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).