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

C19H24N6S — CID 31017899

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
SMILESCc1ncsc1CCNC1CCN(c2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C19H24N6S/c1-15-19(26-14-22-15)6-9-21-16-7-10-24(11-8-16)17-2-4-18(5-3-17)25-13-20-12-23-25/h2-5,12-14,16,21H,6-11H2,1H3
InChIKeyPULAEJUECOKUFV-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.83
Rot. Bonds6

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

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine (PubChem CID 31017899) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
PubChem CID31017899
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
SMILESCc1ncsc1CCNC1CCN(c2ccc(-n3cncn3)cc2)CC1
InChIInChI=1S/C19H24N6S/c1-15-19(26-14-22-15)6-9-21-16-7-10-24(11-8-16)17-2-4-18(5-3-17)25-13-20-12-23-25/h2-5,12-14,16,21H,6-11H2,1H3
InChIKeyPULAEJUECOKUFV-UHFFFAOYSA-N
XLogP2.83
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine
CID 103062804
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 64742874
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
CID 62069776
N-[4-[4-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]piperidin-1-yl]phenyl]-5-phenylpentanamide
CID 42468339
9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470686
[4-[2-(1-methyl-2H-pyridin-5-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 67664143
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropan-1-amine
CID 62070485
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114095982
[4-[2-(1,2-dimethyl-2H-pyridin-6-yl)ethylamino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;trihydrochloride
CID 67665348
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 3021501
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63280699
N-cyclohexyl-4-(1,2,4-triazol-1-yl)aniline
CID 54862655

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine (CID 31017899) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine is Cc1ncsc1CCNC1CCN(c2ccc(-n3cncn3)cc2)CC1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine?
The InChIKey is PULAEJUECOKUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-15-19(26-14-22-15)6-9-21-16-7-10-24(11-8-16)17-2-4-18(5-3-17)25-13-20-12-23-25/h2-5,12-14,16,21H,6-11H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine has a molecular weight of 368.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 31017899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).