1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea

C15H10F3N5O2S — CID 127034986

IUPAC1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1cc(-c2cncnc2)ccc1OC(F)(F)F
InChIInChI=1S/C15H10F3N5O2S/c16-15(17,18)25-12-2-1-9(10-6-19-8-20-7-10)5-11(12)22-13(24)23-14-21-3-4-26-14/h1-8H,(H2,21,22,23,24)
InChIKeyQQTMJZNCEDYJES-UHFFFAOYSA-N
MW381.34 g/mol
LogP4.14
Rot. Bonds4

About 1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea

1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 127034986) has the molecular formula C15H10F3N5O2S and a molecular weight of 381.34 g/mol. Its IUPAC name is 1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID127034986
Molecular FormulaC15H10F3N5O2S
Molecular Weight381.34 g/mol
Exact Mass381.05
IUPAC Name1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1cc(-c2cncnc2)ccc1OC(F)(F)F
InChIInChI=1S/C15H10F3N5O2S/c16-15(17,18)25-12-2-1-9(10-6-19-8-20-7-10)5-11(12)22-13(24)23-14-21-3-4-26-14/h1-8H,(H2,21,22,23,24)
InChIKeyQQTMJZNCEDYJES-UHFFFAOYSA-N
XLogP4.14
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(6-Methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 127027306
1-[5-Pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 127027308
1-Pyridin-2-yl-3-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]urea
CID 127027620
1-[5-(6-Methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 127027641
1-Pyridin-4-yl-3-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]urea
CID 127035009
1-[2-[4-[2-(Ethylamino)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]-3-[2-phenoxy-5-(trifluoromethyl)pyridin-3-yl]urea
CID 89880990
1-(2,5-Difluorophenyl)-3-[2-[4-[2-(propylamino)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea
CID 117921305
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 49791121
N-(2-methoxy-5-(trifluoromethyl)phenyl)-2-(pyrimidin-4-ylthio)acetamide
CID 49676262
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 127026614
2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 127026615
2-(4,6-diethylpyrimidin-2-yl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 127026915

Frequently Asked Questions

What is the IUPAC name of 1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 127034986) is 1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)Nc1cc(-c2cncnc2)ccc1OC(F)(F)F.
What is the InChIKey of 1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is QQTMJZNCEDYJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O2S/c16-15(17,18)25-12-2-1-9(10-6-19-8-20-7-10)5-11(12)22-13(24)23-14-21-3-4-26-14/h1-8H,(H2,21,22,23,24).
What are the key properties of 1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 381.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 127034986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).