N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine

C9H13N5S — CID 62755804

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine
SMILESCc1csc(CNCc2cn(C)nn2)n1
InChIInChI=1S/C9H13N5S/c1-7-6-15-9(11-7)4-10-3-8-5-14(2)13-12-8/h5-6,10H,3-4H2,1-2H3
InChIKeyADDLEQQMJPZUJO-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.87
Rot. Bonds4

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine (PubChem CID 62755804) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine
PubChem CID62755804
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine
SMILESCc1csc(CNCc2cn(C)nn2)n1
InChIInChI=1S/C9H13N5S/c1-7-6-15-9(11-7)4-10-3-8-5-14(2)13-12-8/h5-6,10H,3-4H2,1-2H3
InChIKeyADDLEQQMJPZUJO-UHFFFAOYSA-N
XLogP0.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine (CID 62755804) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine is Cc1csc(CNCc2cn(C)nn2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine?
The InChIKey is ADDLEQQMJPZUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-7-6-15-9(11-7)4-10-3-8-5-14(2)13-12-8/h5-6,10H,3-4H2,1-2H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine has a molecular weight of 223.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 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-(1-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 62755804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).