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

C18H31N7S — CID 72926992

IUPAC5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2cnc(N(C)C)s2)CC1
InChIInChI=1S/C18H31N7S/c1-6-25-16(13-22(2)3)20-21-17(25)14-7-9-24(10-8-14)12-15-11-19-18(26-15)23(4)5/h11,14H,6-10,12-13H2,1-5H3
InChIKeyAXWURAPIUDVLCZ-UHFFFAOYSA-N
MW377.56 g/mol
LogP2.26
Rot. Bonds7

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

5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 72926992) has the molecular formula C18H31N7S and a molecular weight of 377.56 g/mol. Its IUPAC name is 5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID72926992
Molecular FormulaC18H31N7S
Molecular Weight377.56 g/mol
Exact Mass377.24
IUPAC Name5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2cnc(N(C)C)s2)CC1
InChIInChI=1S/C18H31N7S/c1-6-25-16(13-22(2)3)20-21-17(25)14-7-9-24(10-8-14)12-15-11-19-18(26-15)23(4)5/h11,14H,6-10,12-13H2,1-5H3
InChIKeyAXWURAPIUDVLCZ-UHFFFAOYSA-N
XLogP2.26
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-[(3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 134788124
N,N-diethyl-5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 86781843
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 97846839
5-Propan-2-yl-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 128843008
2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 137986513

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 72926992) is 5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CCn1c(CN(C)C)nnc1C1CCN(Cc2cnc(N(C)C)s2)CC1.
What is the InChIKey of 5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is AXWURAPIUDVLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N7S/c1-6-25-16(13-22(2)3)20-21-17(25)14-7-9-24(10-8-14)12-15-11-19-18(26-15)23(4)5/h11,14H,6-10,12-13H2,1-5H3.
What are the key properties of 5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 377.56 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 72926992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).