N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine

C14H16N6S — CID 103786245

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
SMILESCc1cnc(CNC(C)c2cccc(-n3cnnn3)c2)s1
InChIInChI=1S/C14H16N6S/c1-10-7-16-14(21-10)8-15-11(2)12-4-3-5-13(6-12)20-9-17-18-19-20/h3-7,9,11,15H,8H2,1-2H3
InChIKeyKYWFAFAUCAFVIS-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.28
Rot. Bonds5

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine (PubChem CID 103786245) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
PubChem CID103786245
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
SMILESCc1cnc(CNC(C)c2cccc(-n3cnnn3)c2)s1
InChIInChI=1S/C14H16N6S/c1-10-7-16-14(21-10)8-15-11(2)12-4-3-5-13(6-12)20-9-17-18-19-20/h3-7,9,11,15H,8H2,1-2H3
InChIKeyKYWFAFAUCAFVIS-UHFFFAOYSA-N
XLogP2.28
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)aniline
CID 71913473
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
CID 71918508
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 71969739
1-[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 72116424
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[3-(1,2,4-triazol-4-yl)phenyl]ethanamine
CID 164630914
2-[1-[3-(Trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18708186
1-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)phenyl]urea
CID 47050273
2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55248918
2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 60938011
3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60938364
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 60983651
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-fluoro-4-(1,2,4-triazol-1-yl)aniline
CID 60983668

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine (CID 103786245) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine is Cc1cnc(CNC(C)c2cccc(-n3cnnn3)c2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
The InChIKey is KYWFAFAUCAFVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-10-7-16-14(21-10)8-15-11(2)12-4-3-5-13(6-12)20-9-17-18-19-20/h3-7,9,11,15H,8H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine has a molecular weight of 300.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 103786245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).