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

C15H24N6S — CID 86781843

IUPACN,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CN2CCC(n3cncn3)CC2)s1
InChIInChI=1S/C15H24N6S/c1-3-20(4-2)15-17-9-14(22-15)10-19-7-5-13(6-8-19)21-12-16-11-18-21/h9,11-13H,3-8,10H2,1-2H3
InChIKeyHOGXPYZGKLPALM-UHFFFAOYSA-N
MW320.47 g/mol
LogP2.42
Rot. Bonds6

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

N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 86781843) has the molecular formula C15H24N6S and a molecular weight of 320.47 g/mol. Its IUPAC name is N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID86781843
Molecular FormulaC15H24N6S
Molecular Weight320.47 g/mol
Exact Mass320.18
IUPAC NameN,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CN2CCC(n3cncn3)CC2)s1
InChIInChI=1S/C15H24N6S/c1-3-20(4-2)15-17-9-14(22-15)10-19-7-5-13(6-8-19)21-12-16-11-18-21/h9,11-13H,3-8,10H2,1-2H3
InChIKeyHOGXPYZGKLPALM-UHFFFAOYSA-N
XLogP2.42
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 53567153
N,N-diethyl-5-[(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)methyl]-1,3-thiazol-2-amine
CID 53575283
5-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 53586296
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53618498
N,N-diethyl-5-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]-1,3-thiazol-2-amine
CID 56780959
N,N-diethyl-5-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]-1,3-thiazol-2-amine
CID 72141239
N,N-diethyl-5-[[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]-1,3-thiazol-2-amine
CID 72147655
5-[(4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 72926992
N,N-dimethyl-1-[2-[[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-5-yl]methanamine
CID 164630782
2-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 121534043
2-[4-(4-Propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 121534055
2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 124744342

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 86781843) is N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CN2CCC(n3cncn3)CC2)s1.
What is the InChIKey of N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is HOGXPYZGKLPALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6S/c1-3-20(4-2)15-17-9-14(22-15)10-19-7-5-13(6-8-19)21-12-16-11-18-21/h9,11-13H,3-8,10H2,1-2H3.
What are the key properties of N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 320.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86781843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).