N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine

C14H17N7S2 — CID 71968180

IUPACN,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCN(C)CCn1nnnc1SCc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H17N7S2/c1-20(2)7-8-21-14(17-18-19-21)23-10-11-9-22-13(16-11)12-5-3-4-6-15-12/h3-6,9H,7-8,10H2,1-2H3
InChIKeyIHUUYIFTUYYFII-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.05
Rot. Bonds7

About N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine

N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine (PubChem CID 71968180) has the molecular formula C14H17N7S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine
PubChem CID71968180
Molecular FormulaC14H17N7S2
Molecular Weight347.47 g/mol
Exact Mass347.10
IUPAC NameN,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCN(C)CCn1nnnc1SCc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H17N7S2/c1-20(2)7-8-21-14(17-18-19-21)23-10-11-9-22-13(16-11)12-5-3-4-6-15-12/h3-6,9H,7-8,10H2,1-2H3
InChIKeyIHUUYIFTUYYFII-UHFFFAOYSA-N
XLogP2.05
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine with MolForge

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Related Compounds

3-(furan-2-yl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 42479023
1-[4-butyl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethylpropan-1-amine
CID 112808507
4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 30758253
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 146534466
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 35502313
2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 24574257
N-[2-(dimethylamino)ethyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46981951
2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 30782857
2-(4-methoxyphenyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42476331
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 4171231

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine (CID 71968180) is N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine is CN(C)CCn1nnnc1SCc1csc(-c2ccccn2)n1.
What is the InChIKey of N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine?
The InChIKey is IHUUYIFTUYYFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7S2/c1-20(2)7-8-21-14(17-18-19-21)23-10-11-9-22-13(16-11)12-5-3-4-6-15-12/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine?
N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine has a molecular weight of 347.47 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 71968180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).