N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide

C18H13N5O2S — CID 122312000

IUPACN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1ccsc1
InChIInChI=1S/C18H13N5O2S/c24-18(13-5-8-26-10-13)22-14-1-3-15(4-2-14)25-17-9-16(20-11-21-17)23-7-6-19-12-23/h1-12H,(H,22,24)
InChIKeyCMTNPYRKYDBZSH-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.77
Rot. Bonds5

About N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide

N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide (PubChem CID 122312000) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
PubChem CID122312000
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC NameN-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1ccsc1
InChIInChI=1S/C18H13N5O2S/c24-18(13-5-8-26-10-13)22-14-1-3-15(4-2-14)25-17-9-16(20-11-21-17)23-7-6-19-12-23/h1-12H,(H,22,24)
InChIKeyCMTNPYRKYDBZSH-UHFFFAOYSA-N
XLogP3.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
2,4-dichloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311868
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122312189
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-4-oxochromene-2-carboxamide
CID 122312047
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311988
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122309355
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312192
(E)-3-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122312112
1-(4-fluorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropane-1-carboxamide
CID 122312105
1-(4-chlorophenyl)-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopentane-1-carboxamide
CID 122312038

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide (CID 122312000) is N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide is O=C(Nc1ccc(Oc2cc(-n3ccnc3)ncn2)cc1)c1ccsc1.
What is the InChIKey of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide?
The InChIKey is CMTNPYRKYDBZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c24-18(13-5-8-26-10-13)22-14-1-3-15(4-2-14)25-17-9-16(20-11-21-17)23-7-6-19-12-23/h1-12H,(H,22,24).
What are the key properties of N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide?
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide is sourced from PubChem (CID 122312000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).