N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine

C22H21ClN4S — CID 163732796

IUPACN-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCCCNCc1nc2ccnc(Nc3cccc(-c4ccccc4)c3Cl)c2s1
InChIInChI=1S/C22H21ClN4S/c1-2-12-24-14-19-26-18-11-13-25-22(21(18)28-19)27-17-10-6-9-16(20(17)23)15-7-4-3-5-8-15/h3-11,13,24H,2,12,14H2,1H3,(H,25,27)
InChIKeyFJFPSFYLKCITFW-UHFFFAOYSA-N
MW408.96 g/mol
LogP6.25
Rot. Bonds7

About N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine

N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (PubChem CID 163732796) has the molecular formula C22H21ClN4S and a molecular weight of 408.96 g/mol. Its IUPAC name is N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
PubChem CID163732796
Molecular FormulaC22H21ClN4S
Molecular Weight408.96 g/mol
Exact Mass408.12
IUPAC NameN-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCCCNCc1nc2ccnc(Nc3cccc(-c4ccccc4)c3Cl)c2s1
InChIInChI=1S/C22H21ClN4S/c1-2-12-24-14-19-26-18-11-13-25-22(21(18)28-19)27-17-10-6-9-16(20(17)23)15-7-4-3-5-8-15/h3-11,13,24H,2,12,14H2,1H3,(H,25,27)
InChIKeyFJFPSFYLKCITFW-UHFFFAOYSA-N
XLogP6.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.96
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[7-(2-chloro-3-phenylanilino)furo[2,3-c]pyridin-3-yl]methylamino]ethanol
CID 146339585
2-[[4-[2-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)anilino]-[1,3]thiazolo[4,5-c]pyridin-2-yl]methylamino]ethanol
CID 146339389
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63423947
N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544345
N-(2-chloro-3-phenylphenyl)-1,2-benzoxazol-3-amine
CID 175835015
3-(ethylaminomethyl)-N-(2-methyl-3-phenylphenyl)-1,7-naphthyridin-8-amine
CID 146304542
N-[2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2-(methoxymethyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine
CID 174029051
N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376
N-[2-chloro-3-[2-(methylaminomethyl)-1,3-benzoxazol-5-yl]phenyl]-2-[(cyclohexylamino)methyl]-[1,3]thiazolo[4,5-c]pyridin-4-amine
CID 167248311
6-[2-chloro-3-[2-chloro-3-[[2-(methoxymethyl)-[1,3]thiazolo[4,5-c]pyridin-4-yl]amino]phenyl]phenyl]-2-(difluoromethoxy)-4-methylpyridine-3-carbaldehyde
CID 167248702
2-[[3-(2-chloro-3-phenylanilino)-[1,2]thiazolo[4,5-b]pyridin-6-yl]amino]-3-hydroxybutanoic acid
CID 175734067
N-[[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280692

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The IUPAC name of N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (CID 163732796) is N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.
What is the SMILES notation for N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The canonical SMILES for N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is CCCNCc1nc2ccnc(Nc3cccc(-c4ccccc4)c3Cl)c2s1.
What is the InChIKey of N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The InChIKey is FJFPSFYLKCITFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4S/c1-2-12-24-14-19-26-18-11-13-25-22(21(18)28-19)27-17-10-6-9-16(20(17)23)15-7-4-3-5-8-15/h3-11,13,24H,2,12,14H2,1H3,(H,25,27).
What are the key properties of N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine has a molecular weight of 408.96 g/mol, XLogP of 6.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-phenylphenyl)-2-(propylaminomethyl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 163732796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).