5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide

C16H19N3OS3 — CID 35875492

IUPAC5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESO=C(CCCC[C@H]1CCSS1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H19N3OS3/c20-15(7-2-1-5-12-8-10-22-23-12)19-16-18-14(11-21-16)13-6-3-4-9-17-13/h3-4,6,9,11-12H,1-2,5,7-8,10H2,(H,18,19,20)/t12-/m0/s1
InChIKeyALYQPWVJXVHBMF-LBPRGKRZSA-N
MW365.55 g/mol
LogP4.86
Rot. Bonds7

About 5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide

5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide (PubChem CID 35875492) has the molecular formula C16H19N3OS3 and a molecular weight of 365.55 g/mol. Its IUPAC name is 5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide
PubChem CID35875492
Molecular FormulaC16H19N3OS3
Molecular Weight365.55 g/mol
Exact Mass365.07
IUPAC Name5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESO=C(CCCC[C@H]1CCSS1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H19N3OS3/c20-15(7-2-1-5-12-8-10-22-23-12)19-16-18-14(11-21-16)13-6-3-4-9-17-13/h3-4,6,9,11-12H,1-2,5,7-8,10H2,(H,18,19,20)/t12-/m0/s1
InChIKeyALYQPWVJXVHBMF-LBPRGKRZSA-N
XLogP4.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 24645329
N-(1,3-benzothiazol-2-yl)-5-(dithiolan-3-yl)pentanamide
CID 24644798
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17404495
5-(dithiolan-3-yl)-N-[4-(propanoylamino)phenyl]pentanamide
CID 55847390
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
5-(dithiolan-3-yl)-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)pentanamide
CID 166403475
3-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 41164524
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 41164474
(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2487621

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide (CID 35875492) is 5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide is O=C(CCCC[C@H]1CCSS1)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is ALYQPWVJXVHBMF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3OS3/c20-15(7-2-1-5-12-8-10-22-23-12)19-16-18-14(11-21-16)13-6-3-4-9-17-13/h3-4,6,9,11-12H,1-2,5,7-8,10H2,(H,18,19,20)/t12-/m0/s1.
What are the key properties of 5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide?
5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 365.55 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 35875492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).