1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

C17H16N4O2S — CID 87405190

IUPAC1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C17H16N4O2S/c1-23-14-4-2-12(3-5-14)10-19-16(22)21-17-20-15(11-24-17)13-6-8-18-9-7-13/h2-9,11H,10H2,1H3,(H2,19,20,21,22)
InChIKeyBHCICEQMPOQDHS-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.54
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 87405190) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID87405190
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C17H16N4O2S/c1-23-14-4-2-12(3-5-14)10-19-16(22)21-17-20-15(11-24-17)13-6-8-18-9-7-13/h2-9,11H,10H2,1H3,(H2,19,20,21,22)
InChIKeyBHCICEQMPOQDHS-UHFFFAOYSA-N
XLogP3.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 786894
2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-(6-methoxypyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329399
5-Methoxy-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10359768
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
2-{3-[3-(Piperidin-4-Yl)propoxy]phenyl}-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 60097413
Rki-1447
CID 60138149
N-[5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)thiazol-2-yl]acetamide
CID 9843101
1-[(3-Hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;methanesulfonic acid
CID 72698602
(2-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 704576

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 87405190) is 1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is COc1ccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is BHCICEQMPOQDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-14-4-2-12(3-5-14)10-19-16(22)21-17-20-15(11-24-17)13-6-8-18-9-7-13/h2-9,11H,10H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 340.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87405190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).