N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine

C7H10N6S — CID 115672738

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine
SMILESCc1csc(CNCc2nn[nH]n2)n1
InChIInChI=1S/C7H10N6S/c1-5-4-14-7(9-5)3-8-2-6-10-12-13-11-6/h4,8H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyWSUHGWZMTWZIIQ-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.25
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine (PubChem CID 115672738) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine
PubChem CID115672738
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine
SMILESCc1csc(CNCc2nn[nH]n2)n1
InChIInChI=1S/C7H10N6S/c1-5-4-14-7(9-5)3-8-2-6-10-12-13-11-6/h4,8H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyWSUHGWZMTWZIIQ-UHFFFAOYSA-N
XLogP0.25
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103721557
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
1-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60759989
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine
CID 62755804
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 62473870
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
1-(2-methylpyrimidin-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62747714
N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 115680327
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 103698488
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 61043484

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine (CID 115672738) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine is Cc1csc(CNCc2nn[nH]n2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine?
The InChIKey is WSUHGWZMTWZIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-5-4-14-7(9-5)3-8-2-6-10-12-13-11-6/h4,8H,2-3H2,1H3,(H,10,11,12,13).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine has a molecular weight of 210.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2H-tetrazol-5-yl)methanamine is sourced from PubChem (CID 115672738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).