N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C14H17N5OS2 — CID 51088766

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCn1nnnc1SCCC(=O)NC1CCSc2ccccc21
InChIInChI=1S/C14H17N5OS2/c1-19-14(16-17-18-19)22-9-7-13(20)15-11-6-8-21-12-5-3-2-4-10(11)12/h2-5,11H,6-9H2,1H3,(H,15,20)
InChIKeyQGABALCVCSWMML-UHFFFAOYSA-N
MW335.46 g/mol
LogP2.05
Rot. Bonds5

About N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 51088766) has the molecular formula C14H17N5OS2 and a molecular weight of 335.46 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID51088766
Molecular FormulaC14H17N5OS2
Molecular Weight335.46 g/mol
Exact Mass335.09
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCn1nnnc1SCCC(=O)NC1CCSc2ccccc21
InChIInChI=1S/C14H17N5OS2/c1-19-14(16-17-18-19)22-9-7-13(20)15-11-6-8-21-12-5-3-2-4-10(11)12/h2-5,11H,6-9H2,1H3,(H,15,20)
InChIKeyQGABALCVCSWMML-UHFFFAOYSA-N
XLogP2.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methyltetrazol-5-yl)sulfanyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide
CID 167983830
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 51092567
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8012775
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CID 60854166
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 41078944
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 18193181
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27856526
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24509431
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17472322
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-methylphenoxy)propanamide
CID 25442457
3-(1-methyltetrazol-5-yl)sulfanyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 51088766) is N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is Cn1nnnc1SCCC(=O)NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is QGABALCVCSWMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS2/c1-19-14(16-17-18-19)22-9-7-13(20)15-11-6-8-21-12-5-3-2-4-10(11)12/h2-5,11H,6-9H2,1H3,(H,15,20).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 335.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 51088766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).