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

C8H13N5S — CID 62117935

IUPAC5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCc2nncn2C)S1
InChIInChI=1S/C8H13N5S/c1-6-3-9-8(14-6)10-4-7-12-11-5-13(7)2/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyZPQIBLAPTBUKKQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.40
Rot. Bonds2

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

5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 62117935) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID62117935
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCc2nncn2C)S1
InChIInChI=1S/C8H13N5S/c1-6-3-9-8(14-6)10-4-7-12-11-5-13(7)2/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyZPQIBLAPTBUKKQ-UHFFFAOYSA-N
XLogP0.40
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62117756
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 60754232
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
4,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 65169645
5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 80686490
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136755362
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 79222628
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
5-(2-methylpropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154265

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 62117935) is 5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCc2nncn2C)S1.
What is the InChIKey of 5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZPQIBLAPTBUKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c1-6-3-9-8(14-6)10-4-7-12-11-5-13(7)2/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 211.29 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 62117935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).