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

C12H19N5S — CID 56717631

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCCc1nc(C)sc1CNC(C)Cn1cncn1
InChIInChI=1S/C12H19N5S/c1-4-11-12(18-10(3)16-11)5-14-9(2)6-17-8-13-7-15-17/h7-9,14H,4-6H2,1-3H3
InChIKeyVJJJZWMEFJYSSH-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.78
Rot. Bonds6

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

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 56717631) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID56717631
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCCc1nc(C)sc1CNC(C)Cn1cncn1
InChIInChI=1S/C12H19N5S/c1-4-11-12(18-10(3)16-11)5-14-9(2)6-17-8-13-7-15-17/h7-9,14H,4-6H2,1-3H3
InChIKeyVJJJZWMEFJYSSH-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 56717631) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is CCc1nc(C)sc1CNC(C)Cn1cncn1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is VJJJZWMEFJYSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-4-11-12(18-10(3)16-11)5-14-9(2)6-17-8-13-7-15-17/h7-9,14H,4-6H2,1-3H3.
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 265.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 56717631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).