1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine

C16H19N5OS — CID 714668

IUPAC1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccccc1OCc1cccs1
InChIInChI=1S/C16H19N5OS/c1-2-9-21-16(18-19-20-21)17-11-13-6-3-4-8-15(13)22-12-14-7-5-10-23-14/h3-8,10H,2,9,11-12H2,1H3,(H,17,18,20)
InChIKeyNPENGRCLMDEOTC-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.34
Rot. Bonds8

About 1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine

1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine (PubChem CID 714668) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine
PubChem CID714668
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccccc1OCc1cccs1
InChIInChI=1S/C16H19N5OS/c1-2-9-21-16(18-19-20-21)17-11-13-6-3-4-8-15(13)22-12-14-7-5-10-23-14/h3-8,10H,2,9,11-12H2,1H3,(H,17,18,20)
InChIKeyNPENGRCLMDEOTC-UHFFFAOYSA-N
XLogP3.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-Methoxyphenyl)-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2950154
N-[(2-ethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 4727256
N-[(2-ethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727595
N-[2-(benzyloxy)benzyl]-N-{2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethyl}amine
CID 1817840
5-(4-Methoxyphenyl)-7-(3-methylthien-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3244971
7-(thiophen-2-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
CID 665817
N-[(2-ethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 4718433
N-[5-bromo-2-(2-thienylmethoxy)benzyl]-2-methyl-2H-tetrazol-5-amine
CID 1017081
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine
CID 2084150
7-Thiophen-2-yl-6-p-tolyl-7,11-dihydro-6H-5-oxa-7a,8,10,11-tetraaza-cyclopenta[b]phenanthrene
CID 3792808
7-(4-Methoxyphenyl)-5-(thiophen-2-yl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 4246804
N-[(2-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 6485942

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
The IUPAC name of 1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine (CID 714668) is 1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for 1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
The canonical SMILES for 1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine is CCCn1nnnc1NCc1ccccc1OCc1cccs1.
What is the InChIKey of 1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
The InChIKey is NPENGRCLMDEOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-2-9-21-16(18-19-20-21)17-11-13-6-3-4-8-15(13)22-12-14-7-5-10-23-14/h3-8,10H,2,9,11-12H2,1H3,(H,17,18,20).
What are the key properties of 1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine has a molecular weight of 329.43 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 714668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).