2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide

C22H23Cl2N5OS2 — CID 10185770

IUPAC2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
SMILESNc1cncc(-c2csc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)n2)c1
InChIInChI=1S/C22H23Cl2N5OS2/c23-18-2-1-14(7-19(18)24)11-29-5-3-17(4-6-29)27-21(30)13-32-22-28-20(12-31-22)15-8-16(25)10-26-9-15/h1-2,7-10,12,17H,3-6,11,13,25H2,(H,27,30)
InChIKeyPMUNBFCSAHRKCD-UHFFFAOYSA-N
MW508.50 g/mol
LogP4.97
Rot. Bonds7

About 2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide

2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 10185770) has the molecular formula C22H23Cl2N5OS2 and a molecular weight of 508.50 g/mol. Its IUPAC name is 2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID10185770
Molecular FormulaC22H23Cl2N5OS2
Molecular Weight508.50 g/mol
Exact Mass507.07
IUPAC Name2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
SMILESNc1cncc(-c2csc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)n2)c1
InChIInChI=1S/C22H23Cl2N5OS2/c23-18-2-1-14(7-19(18)24)11-29-5-3-17(4-6-29)27-21(30)13-32-22-28-20(12-31-22)15-8-16(25)10-26-9-15/h1-2,7-10,12,17H,3-6,11,13,25H2,(H,27,30)
InChIKeyPMUNBFCSAHRKCD-UHFFFAOYSA-N
XLogP4.97
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 21061292
2-[[4-(4-aminocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
CID 142182989
methyl 4-[2-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]benzoate
CID 142887971
2-[[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
CID 21061257
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-(3-isocyanophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 21061283
2-amino-N-[3-[2-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 21061261
2-[[4-[3-[(2-amino-3-hydroxypropyl)amino]phenyl]-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
CID 21061251
2-[[4-[3-[[(2S)-2-aminopropyl]amino]phenyl]-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
CID 10144424
2-amino-N-[3-[2-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]phenyl]-3-hydroxypropanamide
CID 21061264
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-[3-(piperidin-4-ylamino)phenyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 21061280
N-[3-[2-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide
CID 21061312
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-[3-[[(2R)-pyrrolidin-2-yl]methylamino]phenyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 58714397

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide (CID 10185770) is 2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide is Nc1cncc(-c2csc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)n2)c1.
What is the InChIKey of 2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is PMUNBFCSAHRKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5OS2/c23-18-2-1-14(7-19(18)24)11-29-5-3-17(4-6-29)27-21(30)13-32-22-28-20(12-31-22)15-8-16(25)10-26-9-15/h1-2,7-10,12,17H,3-6,11,13,25H2,(H,27,30).
What are the key properties of 2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide?
2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 508.50 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-amino-3-pyridinyl)-1,3-thiazol-2-yl]sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 10185770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).