5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine

C14H19N5S — CID 120902080

IUPAC5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(Cc3cccnc3)CC2)s1
InChIInChI=1S/C14H19N5S/c15-14-17-9-13(20-14)11-19-6-4-18(5-7-19)10-12-2-1-3-16-8-12/h1-3,8-9H,4-7,10-11H2,(H2,15,17)
InChIKeyXKZAYKQQJZDBBT-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.44
Rot. Bonds4

About 5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120902080) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120902080
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(Cc3cccnc3)CC2)s1
InChIInChI=1S/C14H19N5S/c15-14-17-9-13(20-14)11-19-6-4-18(5-7-19)10-12-2-1-3-16-8-12/h1-3,8-9H,4-7,10-11H2,(H2,15,17)
InChIKeyXKZAYKQQJZDBBT-UHFFFAOYSA-N
XLogP1.44
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897558
5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 87629601
5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897945
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 25258494
5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904553
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903805

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120902080) is 5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCN(Cc3cccnc3)CC2)s1.
What is the InChIKey of 5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is XKZAYKQQJZDBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c15-14-17-9-13(20-14)11-19-6-4-18(5-7-19)10-12-2-1-3-16-8-12/h1-3,8-9H,4-7,10-11H2,(H2,15,17).
What are the key properties of 5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 289.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).