N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C16H15N5O2S2 — CID 18131308

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)NC1CCSc2ccccc21
InChIInChI=1S/C16H15N5O2S2/c22-14(17-12-7-9-24-13-5-2-1-4-11(12)13)10-20-16(23)21(19-18-20)15-6-3-8-25-15/h1-6,8,12H,7,9-10H2,(H,17,22)
InChIKeyYJNPEEAMNPHRLC-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.84
Rot. Bonds4

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 18131308) has the molecular formula C16H15N5O2S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID18131308
Molecular FormulaC16H15N5O2S2
Molecular Weight373.46 g/mol
Exact Mass373.07
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)NC1CCSc2ccccc21
InChIInChI=1S/C16H15N5O2S2/c22-14(17-12-7-9-24-13-5-2-1-4-11(12)13)10-20-16(23)21(19-18-20)15-6-3-8-25-15/h1-6,8,12H,7,9-10H2,(H,17,22)
InChIKeyYJNPEEAMNPHRLC-UHFFFAOYSA-N
XLogP1.84
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131558
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-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41401781
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 94180682
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 39017810
N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131426
N-[(4-chlorophenyl)methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444690
(E)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 8899095
2-[[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 39018282
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 79285946

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 18131308) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is O=C(Cn1nnn(-c2cccs2)c1=O)NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is YJNPEEAMNPHRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S2/c22-14(17-12-7-9-24-13-5-2-1-4-11(12)13)10-20-16(23)21(19-18-20)15-6-3-8-25-15/h1-6,8,12H,7,9-10H2,(H,17,22).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 373.46 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 18131308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).