N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole

C35H29N5OS3 — CID 159869277

IUPACN,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole
SMILESCN(C)c1ccc(-c2cnc(-c3ccccn3)s2)cc1.COc1ccc(-c2ccc(-c3cnc(-c4ccccn4)s3)s2)cc1
InChIInChI=1S/C19H14N2OS2.C16H15N3S/c1-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18-12-21-19(24-18)15-4-2-3-11-20-15;1-19(2)13-8-6-12(7-9-13)15-11-18-16(20-15)14-5-3-4-10-17-14/h2-12H,1H3;3-11H,1-2H3
InChIKeyNSCZGZXZTKOEEG-UHFFFAOYSA-N
MW631.85 g/mol
LogP9.55
Rot. Bonds7

About N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole

N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole (PubChem CID 159869277) has the molecular formula C35H29N5OS3 and a molecular weight of 631.85 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole
PubChem CID159869277
Molecular FormulaC35H29N5OS3
Molecular Weight631.85 g/mol
Exact Mass631.15
IUPAC NameN,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole
SMILESCN(C)c1ccc(-c2cnc(-c3ccccn3)s2)cc1.COc1ccc(-c2ccc(-c3cnc(-c4ccccn4)s3)s2)cc1
InChIInChI=1S/C19H14N2OS2.C16H15N3S/c1-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18-12-21-19(24-18)15-4-2-3-11-20-15;1-19(2)13-8-6-12(7-9-13)15-11-18-16(20-15)14-5-3-4-10-17-14/h2-12H,1H3;3-11H,1-2H3
InChIKeyNSCZGZXZTKOEEG-UHFFFAOYSA-N
XLogP9.55
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.85
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[5,4-c]pyridine
CID 57448310
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-c]pyridine
CID 57448305
2-[[4-[[3-(2-Methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methyl]-1,3-benzothiazole
CID 86766333
Pyridine, 3-(4-(4-methoxyphenyl)-2-phenyl-5-thiazolyl)-
CID 3024899
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(2,2,2-trifluoroethyl)-1H-pyrrol-2-yl)-
CID 3063472
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(ethoxymethyl)-1H-pyrrol-2-yl)-
CID 3063491
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(propoxymethyl)-1H-pyrrol-2-yl)-
CID 3063492
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(2-ethoxyethyl)-1H-pyrrol-2-yl)-
CID 3063493
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-((ethenyloxy)ethyl)-1H-pyrrol-2-yl)-
CID 3063494
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(2-(ethylthio)ethyl)-1H-pyrrol-2-yl)-
CID 3063495
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(3-ethoxypropyl)-1H-pyrrol-2-yl)-
CID 3063496
(E)-2-((4-methoxyphenyl)(4-styrylquinolin-6-yl)methyl)thiazole
CID 118324012

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole (CID 159869277) is N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole is CN(C)c1ccc(-c2cnc(-c3ccccn3)s2)cc1.COc1ccc(-c2ccc(-c3cnc(-c4ccccn4)s3)s2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is NSCZGZXZTKOEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2.C16H15N3S/c1-22-14-7-5-13(6-8-14)16-9-10-17(23-16)18-12-21-19(24-18)15-4-2-3-11-20-15;1-19(2)13-8-6-12(7-9-13)15-11-18-16(20-15)14-5-3-4-10-17-14/h2-12H,1H3;3-11H,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole?
N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 631.85 g/mol, XLogP of 9.55, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 159869277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).