1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol

C21H34N6OS — CID 145105083

IUPAC1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol
SMILESC1CNCNC1.C=Nc1nc(-c2cccc(N3CCCC(CO)C3)n2)cs1.CC
InChIInChI=1S/C15H18N4OS.C4H10N2.C2H6/c1-16-15-18-13(10-21-15)12-5-2-6-14(17-12)19-7-3-4-11(8-19)9-20;1-2-5-4-6-3-1;1-2/h2,5-6,10-11,20H,1,3-4,7-9H2;5-6H,1-4H2;1-2H3
InChIKeyWPRWWCNXUBVJDN-UHFFFAOYSA-N
MW418.61 g/mol
LogP3.30
Rot. Bonds4

About 1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol

1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol (PubChem CID 145105083) has the molecular formula C21H34N6OS and a molecular weight of 418.61 g/mol. Its IUPAC name is 1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol
PubChem CID145105083
Molecular FormulaC21H34N6OS
Molecular Weight418.61 g/mol
Exact Mass418.25
IUPAC Name1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol
SMILESC1CNCNC1.C=Nc1nc(-c2cccc(N3CCCC(CO)C3)n2)cs1.CC
InChIInChI=1S/C15H18N4OS.C4H10N2.C2H6/c1-16-15-18-13(10-21-15)12-5-2-6-14(17-12)19-7-3-4-11(8-19)9-20;1-2-5-4-6-3-1;1-2/h2,5-6,10-11,20H,1,3-4,7-9H2;5-6H,1-4H2;1-2H3
InChIKeyWPRWWCNXUBVJDN-UHFFFAOYSA-N
XLogP3.30
TPSA85.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(6-pyridin-2-yl-2-pyridinyl)piperidin-3-yl]-1,3-thiazol-2-yl]methanimine
CID 145104480
1,3-diazinane;N-methyl-6-[2-(methylideneamino)-1,3-thiazol-4-yl]-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 145104782
2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228577
[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]methanol
CID 106588319
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
1,3-diazinane;N-[4-[5-(6-methoxy-3-pyridinyl)thiophen-3-yl]-1,3-thiazol-2-yl]methanimine
CID 145104146
2-chloro-6-(3-ethylpiperidin-1-yl)pyridine
CID 63588602
1-[4-[6-[(4aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine
CID 145104394
[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300552
[1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66903855
[1-(5-amino-6-ethoxy-2-pyridinyl)piperidin-3-yl]methanol
CID 43590236

Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol?
The IUPAC name of 1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol (CID 145105083) is 1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol.
What is the SMILES notation for 1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol?
The canonical SMILES for 1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol is C1CNCNC1.C=Nc1nc(-c2cccc(N3CCCC(CO)C3)n2)cs1.CC.
What is the InChIKey of 1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol?
The InChIKey is WPRWWCNXUBVJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.C4H10N2.C2H6/c1-16-15-18-13(10-21-15)12-5-2-6-14(17-12)19-7-3-4-11(8-19)9-20;1-2-5-4-6-3-1;1-2/h2,5-6,10-11,20H,1,3-4,7-9H2;5-6H,1-4H2;1-2H3.
What are the key properties of 1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol?
1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol has a molecular weight of 418.61 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol is sourced from PubChem (CID 145105083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).