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

C9H13N5S — CID 115685711

IUPAC1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2cnc(C)s2)n[nH]1
InChIInChI=1S/C9H13N5S/c1-6-12-9(14-13-6)5-10-3-8-4-11-7(2)15-8/h4,10H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyXCDZQLFLNWQVSM-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.17
Rot. Bonds4

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

1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 115685711) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID115685711
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2cnc(C)s2)n[nH]1
InChIInChI=1S/C9H13N5S/c1-6-12-9(14-13-6)5-10-3-8-4-11-7(2)15-8/h4,10H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyXCDZQLFLNWQVSM-UHFFFAOYSA-N
XLogP1.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(2-methyltetrazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 107042236
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115672794
5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 126988140
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetonitrile
CID 61280637
1-(1H-indol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 102910369
1-(4-fluorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645187
1-(furan-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645208
3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66275798
N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 113337763
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine (CID 115685711) is 1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine is Cc1nc(CNCc2cnc(C)s2)n[nH]1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is XCDZQLFLNWQVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-12-9(14-13-6)5-10-3-8-4-11-7(2)15-8/h4,10H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine?
1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 223.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 115685711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).