5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C14H18N4OS — CID 103359235

IUPAC5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCCOC2)c1-c1cccnc1
InChIInChI=1S/C14H18N4OS/c15-13-12(11-4-1-5-16-8-11)14(20-18-13)17-7-10-3-2-6-19-9-10/h1,4-5,8,10,17H,2-3,6-7,9H2,(H2,15,18)
InChIKeyMIIZQUPUDSWRLG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.63
Rot. Bonds4

About 5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103359235) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103359235
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCCOC2)c1-c1cccnc1
InChIInChI=1S/C14H18N4OS/c15-13-12(11-4-1-5-16-8-11)14(20-18-13)17-7-10-3-2-6-19-9-10/h1,4-5,8,10,17H,2-3,6-7,9H2,(H2,15,18)
InChIKeyMIIZQUPUDSWRLG-UHFFFAOYSA-N
XLogP2.63
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365325
4-pyridin-3-yl-5-N-(thiolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364491
[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103359939
5-N-[(4-methylmorpholin-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359116
5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382843
4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359238
5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361700
5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364915
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370
4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364167
5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
CID 107324546
5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359536

Frequently Asked Questions

What is the IUPAC name of 5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103359235) is 5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is Nc1nsc(NCC2CCCOC2)c1-c1cccnc1.
What is the InChIKey of 5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is MIIZQUPUDSWRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-13-12(11-4-1-5-16-8-11)14(20-18-13)17-7-10-3-2-6-19-9-10/h1,4-5,8,10,17H,2-3,6-7,9H2,(H2,15,18).
What are the key properties of 5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 290.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).