1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine

C10H15N5S — CID 107048995

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCc1csc(CC(N)Cc2cn(C)nn2)n1
InChIInChI=1S/C10H15N5S/c1-7-6-16-10(12-7)4-8(11)3-9-5-15(2)14-13-9/h5-6,8H,3-4,11H2,1-2H3
InChIKeyVTRACIZNNYANNO-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.69
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine

1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine (PubChem CID 107048995) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine
PubChem CID107048995
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCc1csc(CC(N)Cc2cn(C)nn2)n1
InChIInChI=1S/C10H15N5S/c1-7-6-16-10(12-7)4-8(11)3-9-5-15(2)14-13-9/h5-6,8H,3-4,11H2,1-2H3
InChIKeyVTRACIZNNYANNO-UHFFFAOYSA-N
XLogP0.69
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine
CID 62755804
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
1-(1-methyltriazol-4-yl)tridecan-2-amine
CID 107063941
1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107063713
5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 64567637
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064211
1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063974
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048388
1-(5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064105

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine (CID 107048995) is 1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine is Cc1csc(CC(N)Cc2cn(C)nn2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine?
The InChIKey is VTRACIZNNYANNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7-6-16-10(12-7)4-8(11)3-9-5-15(2)14-13-9/h5-6,8H,3-4,11H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine?
1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine has a molecular weight of 237.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine is sourced from PubChem (CID 107048995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).