N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine

C8H12N6S — CID 107042236

IUPACN-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncc(CNCc2nnn(C)n2)s1
InChIInChI=1S/C8H12N6S/c1-6-10-4-7(15-6)3-9-5-8-11-13-14(2)12-8/h4,9H,3,5H2,1-2H3
InChIKeyLFNYLVPTCQYBBL-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.26
Rot. Bonds4

About N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine

N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 107042236) has the molecular formula C8H12N6S and a molecular weight of 224.29 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID107042236
Molecular FormulaC8H12N6S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncc(CNCc2nnn(C)n2)s1
InChIInChI=1S/C8H12N6S/c1-6-10-4-7(15-6)3-9-5-8-11-13-14(2)12-8/h4,9H,3,5H2,1-2H3
InChIKeyLFNYLVPTCQYBBL-UHFFFAOYSA-N
XLogP0.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115685711
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
1-(5-methylfuran-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042362
3-(3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115582616
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413345
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637
1-(3-methyl-2-pyridinyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042405
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396072
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115762272
1-(2-methylcyclopentyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107417627

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine (CID 107042236) is N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine is Cc1ncc(CNCc2nnn(C)n2)s1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is LFNYLVPTCQYBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S/c1-6-10-4-7(15-6)3-9-5-8-11-13-14(2)12-8/h4,9H,3,5H2,1-2H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 224.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 107042236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).