1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea

C18H17N5O2S — CID 171814784

IUPAC1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea
SMILESCOc1ccccc1NC(=O)N/C(N)=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H17N5O2S/c1-25-15-10-6-5-9-13(15)20-17(24)22-16(19)23-18-21-14(11-26-18)12-7-3-2-4-8-12/h2-11H,1H3,(H4,19,20,21,22,23,24)
InChIKeyVELJAUAQHUPXGT-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.59
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea

1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea (PubChem CID 171814784) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea
PubChem CID171814784
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea
SMILESCOc1ccccc1NC(=O)N/C(N)=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H17N5O2S/c1-25-15-10-6-5-9-13(15)20-17(24)22-16(19)23-18-21-14(11-26-18)12-7-3-2-4-8-12/h2-11H,1H3,(H4,19,20,21,22,23,24)
InChIKeyVELJAUAQHUPXGT-UHFFFAOYSA-N
XLogP3.59
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide
CID 86232450
1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 46192880
1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 122285973
N-[(2-methoxyphenyl)carbamoyl]-4-(thiadiazol-4-yl)benzamide
CID 2739361
1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 20896160
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
1-(3,4-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 35580173
ethane;(2-methoxyphenyl)urea
CID 143063924
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2563340
2-N,5-N-bis(2-methoxyphenyl)-3,4-diphenylthiophene-2,5-dicarboxamide
CID 3660329
2-(2-methoxyanilino)-2-sulfanylideneacetamide
CID 15526121

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea (CID 171814784) is 1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea is COc1ccccc1NC(=O)N/C(N)=N/c1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea?
The InChIKey is VELJAUAQHUPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-25-15-10-6-5-9-13(15)20-17(24)22-16(19)23-18-21-14(11-26-18)12-7-3-2-4-8-12/h2-11H,1H3,(H4,19,20,21,22,23,24).
What are the key properties of 1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea?
1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea has a molecular weight of 367.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(E)-N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]urea is sourced from PubChem (CID 171814784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).