N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide

C25H17N3OS — CID 108770678

IUPACN-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccncc3)n2)c1)c1cccc2ccccc12
InChIInChI=1S/C25H17N3OS/c29-24(22-10-4-6-17-5-1-2-9-21(17)22)27-20-8-3-7-19(15-20)23-16-30-25(28-23)18-11-13-26-14-12-18/h1-16H,(H,27,29)
InChIKeyZCRQMSCGSQPAEG-UHFFFAOYSA-N
MW407.50 g/mol
LogP6.28
Rot. Bonds4

About N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide

N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 108770678) has the molecular formula C25H17N3OS and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
PubChem CID108770678
Molecular FormulaC25H17N3OS
Molecular Weight407.50 g/mol
Exact Mass407.11
IUPAC NameN-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccncc3)n2)c1)c1cccc2ccccc12
InChIInChI=1S/C25H17N3OS/c29-24(22-10-4-6-17-5-1-2-9-21(17)22)27-20-8-3-7-19(15-20)23-16-30-25(28-23)18-11-13-26-14-12-18/h1-16H,(H,27,29)
InChIKeyZCRQMSCGSQPAEG-UHFFFAOYSA-N
XLogP6.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
CID 3475744
2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580
3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770590
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748572
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
CID 40691824
5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 108748742
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide (CID 108770678) is N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide is O=C(Nc1cccc(-c2csc(-c3ccncc3)n2)c1)c1cccc2ccccc12.
What is the InChIKey of N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is ZCRQMSCGSQPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3OS/c29-24(22-10-4-6-17-5-1-2-9-21(17)22)27-20-8-3-7-19(15-20)23-16-30-25(28-23)18-11-13-26-14-12-18/h1-16H,(H,27,29).
What are the key properties of N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide?
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 108770678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).