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

C14H23N5S — CID 105162517

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncnn1CCC)c1csc(C)n1
InChIInChI=1S/C14H23N5S/c1-4-6-15-12(13-9-20-11(3)18-13)8-14-16-10-17-19(14)7-5-2/h9-10,12,15H,4-8H2,1-3H3
InChIKeyHAMLETJIXHLEQU-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.74
Rot. Bonds8

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

N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine (PubChem CID 105162517) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
PubChem CID105162517
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ncnn1CCC)c1csc(C)n1
InChIInChI=1S/C14H23N5S/c1-4-6-15-12(13-9-20-11(3)18-13)8-14-16-10-17-19(14)7-5-2/h9-10,12,15H,4-8H2,1-3H3
InChIKeyHAMLETJIXHLEQU-UHFFFAOYSA-N
XLogP2.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 105078510
N-[2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105088934
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
CID 105003076
3-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-1-amine
CID 105176678
5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79964580
1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
CID 105138128
3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79616250
N-[2-(2-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105087377
N-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82902334
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105174053
3-ethoxy-3-methyl-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 116727209
3-N,3-N,3-trimethyl-2-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79053430

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine (CID 105162517) is N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ncnn1CCC)c1csc(C)n1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The InChIKey is HAMLETJIXHLEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-4-6-15-12(13-9-20-11(3)18-13)8-14-16-10-17-19(14)7-5-2/h9-10,12,15H,4-8H2,1-3H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105162517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).