N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C16H16N6OS — CID 154789937

IUPACN-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCc1nc(-c2nn[nH]n2)cs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H16N6OS/c23-16(12-6-5-10-3-1-2-4-11(10)7-12)17-8-14-18-13(9-24-14)15-19-21-22-20-15/h5-7,9H,1-4,8H2,(H,17,23)(H,19,20,21,22)
InChIKeyUYFZHYRIQKLGLM-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.13
Rot. Bonds4

About N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 154789937) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID154789937
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCc1nc(-c2nn[nH]n2)cs1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H16N6OS/c23-16(12-6-5-10-3-1-2-4-11(10)7-12)17-8-14-18-13(9-24-14)15-19-21-22-20-15/h5-7,9H,1-4,8H2,(H,17,23)(H,19,20,21,22)
InChIKeyUYFZHYRIQKLGLM-UHFFFAOYSA-N
XLogP2.13
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51291464
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112841611
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 90651661
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56524427
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72847767
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110909083
N-[(5-sulfamoylthiophen-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24574708
N-[(4-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 154789937) is N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NCc1nc(-c2nn[nH]n2)cs1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is UYFZHYRIQKLGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(12-6-5-10-3-1-2-4-11(10)7-12)17-8-14-18-13(9-24-14)15-19-21-22-20-15/h5-7,9H,1-4,8H2,(H,17,23)(H,19,20,21,22).
What are the key properties of N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 154789937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).