N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide

C12H17N3OS — CID 83145658

IUPACN-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide
SMILESNc1cnccc1NC(=O)CC1CCSCC1
InChIInChI=1S/C12H17N3OS/c13-10-8-14-4-1-11(10)15-12(16)7-9-2-5-17-6-3-9/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16)
InChIKeyUCYHJWWCKONSGQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.14
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide

N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide (PubChem CID 83145658) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide
PubChem CID83145658
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide
SMILESNc1cnccc1NC(=O)CC1CCSCC1
InChIInChI=1S/C12H17N3OS/c13-10-8-14-4-1-11(10)15-12(16)7-9-2-5-17-6-3-9/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16)
InChIKeyUCYHJWWCKONSGQ-UHFFFAOYSA-N
XLogP2.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83145566
N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide
CID 103144489
N-(3-amino-4-fluorophenyl)-2-(thian-4-yl)acetamide
CID 83146084
N-(3-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83144848
N-(4-amino-2-bromophenyl)-2-(thian-4-yl)acetamide
CID 83144750
N-(3-amino-4-pyridinyl)-2-cyclopropylpropanamide
CID 83147600
N-(3-methyl-4-pyridinyl)-2-piperidin-4-ylacetamide
CID 119876314
N-(3-amino-4-pyridinyl)pentanamide
CID 63061735
N-(3-amino-4-pyridinyl)cyclooctanecarboxamide
CID 65019463
N-(5-bromopyrazin-2-yl)-2-(thian-4-yl)acetamide
CID 80709427
N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 55148535
N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115699481

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide (CID 83145658) is N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide is Nc1cnccc1NC(=O)CC1CCSCC1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide?
The InChIKey is UCYHJWWCKONSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-10-8-14-4-1-11(10)15-12(16)7-9-2-5-17-6-3-9/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16).
What are the key properties of N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide?
N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide has a molecular weight of 251.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83145658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).