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

C12H19N5S — CID 50968367

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCc1nc(CCNC(C)Cn2cncn2)sc1C
InChIInChI=1S/C12H19N5S/c1-9(6-17-8-13-7-15-17)14-5-4-12-16-10(2)11(3)18-12/h7-9,14H,4-6H2,1-3H3
InChIKeyRVQAZHAZPAQURY-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.57
Rot. Bonds6

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 50968367) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID50968367
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCc1nc(CCNC(C)Cn2cncn2)sc1C
InChIInChI=1S/C12H19N5S/c1-9(6-17-8-13-7-15-17)14-5-4-12-16-10(2)11(3)18-12/h7-9,14H,4-6H2,1-3H3
InChIKeyRVQAZHAZPAQURY-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 50968367) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is Cc1nc(CCNC(C)Cn2cncn2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is RVQAZHAZPAQURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-9(6-17-8-13-7-15-17)14-5-4-12-16-10(2)11(3)18-12/h7-9,14H,4-6H2,1-3H3.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 265.39 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 50968367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).