N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine

C17H21N5S — CID 71919688

IUPACN-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
SMILESCc1nc(-c2ccccc2)sc1C(C)N(C)CCn1cncn1
InChIInChI=1S/C17H21N5S/c1-13-16(23-17(20-13)15-7-5-4-6-8-15)14(2)21(3)9-10-22-12-18-11-19-22/h4-8,11-12,14H,9-10H2,1-3H3
InChIKeyKVNKCZHDXDSTHH-UHFFFAOYSA-N
MW327.46 g/mol
LogP3.40
Rot. Bonds6

About N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine

N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine (PubChem CID 71919688) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
PubChem CID71919688
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC NameN-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
SMILESCc1nc(-c2ccccc2)sc1C(C)N(C)CCn1cncn1
InChIInChI=1S/C17H21N5S/c1-13-16(23-17(20-13)15-7-5-4-6-8-15)14(2)21(3)9-10-22-12-18-11-19-22/h4-8,11-12,14H,9-10H2,1-3H3
InChIKeyKVNKCZHDXDSTHH-UHFFFAOYSA-N
XLogP3.40
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
The IUPAC name of N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine (CID 71919688) is N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
The canonical SMILES for N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine is Cc1nc(-c2ccccc2)sc1C(C)N(C)CCn1cncn1.
What is the InChIKey of N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
The InChIKey is KVNKCZHDXDSTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5S/c1-13-16(23-17(20-13)15-7-5-4-6-8-15)14(2)21(3)9-10-22-12-18-11-19-22/h4-8,11-12,14H,9-10H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine has a molecular weight of 327.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 71919688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).