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

C10H15N5S — CID 50954365

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCc1nc(CNC(C)Cn2cncn2)cs1
InChIInChI=1S/C10H15N5S/c1-8(4-15-7-11-6-13-15)12-3-10-5-16-9(2)14-10/h5-8,12H,3-4H2,1-2H3
InChIKeyCDANADJXUNCVNO-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.22
Rot. Bonds5

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 50954365) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID50954365
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCc1nc(CNC(C)Cn2cncn2)cs1
InChIInChI=1S/C10H15N5S/c1-8(4-15-7-11-6-13-15)12-3-10-5-16-9(2)14-10/h5-8,12H,3-4H2,1-2H3
InChIKeyCDANADJXUNCVNO-UHFFFAOYSA-N
XLogP1.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 50954365) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is Cc1nc(CNC(C)Cn2cncn2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is CDANADJXUNCVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-8(4-15-7-11-6-13-15)12-3-10-5-16-9(2)14-10/h5-8,12H,3-4H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 237.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 50954365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).