N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine

C18H23N5S — CID 75380780

IUPACN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
SMILESCC(C)C(NCc1cnc(C2CCC2)s1)c1nnc2ccccn12
InChIInChI=1S/C18H23N5S/c1-12(2)16(17-22-21-15-8-3-4-9-23(15)17)19-10-14-11-20-18(24-14)13-6-5-7-13/h3-4,8-9,11-13,16,19H,5-7,10H2,1-2H3
InChIKeyWGEGCFBCSQQXDQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.94
Rot. Bonds6

About N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine

N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine (PubChem CID 75380780) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
PubChem CID75380780
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
SMILESCC(C)C(NCc1cnc(C2CCC2)s1)c1nnc2ccccn12
InChIInChI=1S/C18H23N5S/c1-12(2)16(17-22-21-15-8-3-4-9-23(15)17)19-10-14-11-20-18(24-14)13-6-5-7-13/h3-4,8-9,11-13,16,19H,5-7,10H2,1-2H3
InChIKeyWGEGCFBCSQQXDQ-UHFFFAOYSA-N
XLogP3.94
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine with MolForge

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 60982159
(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 97089159
(3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 103854799
(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 97108873
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine
CID 65081528
1-[(3S)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one
CID 97226548
2-methoxy-5-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]phenol
CID 56823178
(1S)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 97211230
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
CID 29140560
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-yl)butan-2-amine
CID 75380778
3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]-2-phenylpropan-1-ol
CID 75380822

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
The IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine (CID 75380780) is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine.
What is the SMILES notation for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
The canonical SMILES for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine is CC(C)C(NCc1cnc(C2CCC2)s1)c1nnc2ccccn12.
What is the InChIKey of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
The InChIKey is WGEGCFBCSQQXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-12(2)16(17-22-21-15-8-3-4-9-23(15)17)19-10-14-11-20-18(24-14)13-6-5-7-13/h3-4,8-9,11-13,16,19H,5-7,10H2,1-2H3.
What are the key properties of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine?
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine has a molecular weight of 341.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine is sourced from PubChem (CID 75380780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).