N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine

C21H24ClN5S2 — CID 146439281

IUPACN-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
SMILESCN(c1ncc(SNc2cscn2)cc1Cl)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24ClN5S2/c1-26(17-7-9-27(10-8-17)13-16-5-3-2-4-6-16)21-19(22)11-18(12-23-21)29-25-20-14-28-15-24-20/h2-6,11-12,14-15,17,25H,7-10,13H2,1H3
InChIKeyPXZHWGVDDAZPOZ-UHFFFAOYSA-N
MW446.05 g/mol
LogP5.41
Rot. Bonds7

About N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine

N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine (PubChem CID 146439281) has the molecular formula C21H24ClN5S2 and a molecular weight of 446.05 g/mol. Its IUPAC name is N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
PubChem CID146439281
Molecular FormulaC21H24ClN5S2
Molecular Weight446.05 g/mol
Exact Mass445.12
IUPAC NameN-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
SMILESCN(c1ncc(SNc2cscn2)cc1Cl)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24ClN5S2/c1-26(17-7-9-27(10-8-17)13-16-5-3-2-4-6-16)21-19(22)11-18(12-23-21)29-25-20-14-28-15-24-20/h2-6,11-12,14-15,17,25H,7-10,13H2,1H3
InChIKeyPXZHWGVDDAZPOZ-UHFFFAOYSA-N
XLogP5.41
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.05
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine with MolForge

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Related Compounds

6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-N-(1,3-thiazol-4-yl)pyridine-3-sulfonamide
CID 146421693
methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate
CID 10759534
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 96560100
2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
CID 57245914
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
N-(1-benzylpiperidin-4-yl)-6-fluoro-N-methyl-3-nitropyridin-2-amine
CID 10617412
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976215
1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 158999305
2-N-(1-benzylpiperidin-4-yl)-3-N-(1-ethoxycyclopropyl)-2-N-methylpyridine-2,3-diamine
CID 10643521
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
The IUPAC name of N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine (CID 146439281) is N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine.
What is the SMILES notation for N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
The canonical SMILES for N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine is CN(c1ncc(SNc2cscn2)cc1Cl)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
The InChIKey is PXZHWGVDDAZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5S2/c1-26(17-7-9-27(10-8-17)13-16-5-3-2-4-6-16)21-19(22)11-18(12-23-21)29-25-20-14-28-15-24-20/h2-6,11-12,14-15,17,25H,7-10,13H2,1H3.
What are the key properties of N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine has a molecular weight of 446.05 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(1-benzylpiperidin-4-yl)-methylamino]-5-chloro-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 146439281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).