(2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

C10H11ClN6OS — CID 2630257

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H11ClN6OS/c1-6(19-10-14-15-16-17(10)2)9(18)13-8-4-3-7(11)5-12-8/h3-6H,1-2H3,(H,12,13,18)/t6-/m0/s1
InChIKeyTTZLYPFKVTUFOF-LURJTMIESA-N
MW298.76 g/mol
LogP1.38
Rot. Bonds4

About (2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 2630257) has the molecular formula C10H11ClN6OS and a molecular weight of 298.76 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID2630257
Molecular FormulaC10H11ClN6OS
Molecular Weight298.76 g/mol
Exact Mass298.04
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H11ClN6OS/c1-6(19-10-14-15-16-17(10)2)9(18)13-8-4-3-7(11)5-12-8/h3-6H,1-2H3,(H,12,13,18)/t6-/m0/s1
InChIKeyTTZLYPFKVTUFOF-LURJTMIESA-N
XLogP1.38
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 2603225
(2S)-2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 40797731
N-(5-chloro-2-pyridinyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 78285132
(2R)-2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 7955121
(2S)-2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 7269820
(2R)-2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 7989573
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
(2R)-N-(2-chloro-4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2460676
(2S)-2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 33162108
(2R)-N-(5-chloro-2-pyridinyl)-2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7651756
(2S)-N-(5-chloro-2-pyridinyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 41179965
(2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 40670790

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 2630257) is (2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is C[C@H](Sc1nnnn1C)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is TTZLYPFKVTUFOF-LURJTMIESA-N. The full InChI is InChI=1S/C10H11ClN6OS/c1-6(19-10-14-15-16-17(10)2)9(18)13-8-4-3-7(11)5-12-8/h3-6H,1-2H3,(H,12,13,18)/t6-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 298.76 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 2630257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).