N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine

C20H22N4O2S3 — CID 38969728

IUPACN-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(SCc2csc(Nc3ccccc3)n2)nc1)N1CCCCC1
InChIInChI=1S/C20H22N4O2S3/c25-29(26,24-11-5-2-6-12-24)18-9-10-19(21-13-18)27-14-17-15-28-20(23-17)22-16-7-3-1-4-8-16/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H,22,23)
InChIKeyDRHHPZBAMKTEFC-UHFFFAOYSA-N
MW446.62 g/mol
LogP4.75
Rot. Bonds7

About N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine

N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 38969728) has the molecular formula C20H22N4O2S3 and a molecular weight of 446.62 g/mol. Its IUPAC name is N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID38969728
Molecular FormulaC20H22N4O2S3
Molecular Weight446.62 g/mol
Exact Mass446.09
IUPAC NameN-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccc(SCc2csc(Nc3ccccc3)n2)nc1)N1CCCCC1
InChIInChI=1S/C20H22N4O2S3/c25-29(26,24-11-5-2-6-12-24)18-9-10-19(21-13-18)27-14-17-15-28-20(23-17)22-16-7-3-1-4-8-16/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H,22,23)
InChIKeyDRHHPZBAMKTEFC-UHFFFAOYSA-N
XLogP4.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-2-thiophen-2-yl-1,3-thiazole
CID 46815210
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 41061664
1-(difluoromethyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]benzimidazole
CID 24630092
2-[(4-methylsulfanylphenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7561735
N-carbamoyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7561697
6-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 17438130
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028
2-ethyl-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 18130725
2-(2-chlorophenyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 33464198
2-(3-fluorophenyl)-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-oxazole
CID 33342843

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 38969728) is N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine is O=S(=O)(c1ccc(SCc2csc(Nc3ccccc3)n2)nc1)N1CCCCC1.
What is the InChIKey of N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is DRHHPZBAMKTEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S3/c25-29(26,24-11-5-2-6-12-24)18-9-10-19(21-13-18)27-14-17-15-28-20(23-17)22-16-7-3-1-4-8-16/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H,22,23).
What are the key properties of N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine?
N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 446.62 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 38969728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).