1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

C18H21N5S — CID 171389299

IUPAC1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCN(Cc1ccc(-c2nc(C3CC3)n(C)n2)cc1)Cc1cscn1
InChIInChI=1S/C18H21N5S/c1-22(10-16-11-24-12-19-16)9-13-3-5-14(6-4-13)17-20-18(15-7-8-15)23(2)21-17/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyIJRJHOFKMFETQF-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 171389299) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID171389299
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCN(Cc1ccc(-c2nc(C3CC3)n(C)n2)cc1)Cc1cscn1
InChIInChI=1S/C18H21N5S/c1-22(10-16-11-24-12-19-16)9-13-3-5-14(6-4-13)17-20-18(15-7-8-15)23(2)21-17/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyIJRJHOFKMFETQF-UHFFFAOYSA-N
XLogP3.45
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 82473927
1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 47014021
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 55013686
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347214
4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
CID 79120259
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 124568392
2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80982901
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62426832
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 91833133
trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 171389299) is 1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine is CN(Cc1ccc(-c2nc(C3CC3)n(C)n2)cc1)Cc1cscn1.
What is the InChIKey of 1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is IJRJHOFKMFETQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-22(10-16-11-24-12-19-16)9-13-3-5-14(6-4-13)17-20-18(15-7-8-15)23(2)21-17/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 339.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 171389299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).