2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

C17H23N5S — CID 168626121

IUPAC2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCC1CCCCN1Cc1cccc(C=NNc2nc(N)cs2)c1
InChIInChI=1S/C17H23N5S/c1-13-5-2-3-8-22(13)11-15-7-4-6-14(9-15)10-19-21-17-20-16(18)12-23-17/h4,6-7,9-10,12-13H,2-3,5,8,11,18H2,1H3,(H,20,21)
InChIKeyVDYTXZFSSATBMJ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.55
Rot. Bonds5

About 2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168626121) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168626121
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCC1CCCCN1Cc1cccc(C=NNc2nc(N)cs2)c1
InChIInChI=1S/C17H23N5S/c1-13-5-2-3-8-22(13)11-15-7-4-6-14(9-15)10-19-21-17-20-16(18)12-23-17/h4,6-7,9-10,12-13H,2-3,5,8,11,18H2,1H3,(H,20,21)
InChIKeyVDYTXZFSSATBMJ-UHFFFAOYSA-N
XLogP3.55
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625935
3-[[(2S)-2-methylpiperidin-1-yl]methyl]benzaldehyde
CID 97294022
2-N-[[3-(prop-2-enoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626078
4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617314
2-N-[(3-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627054
2-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626867
2-N-[[3-(methoxymethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625808
2-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626098
[4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol
CID 168626606
2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626932
2-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626232
2-N-[[4-propoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626637

Frequently Asked Questions

What is the IUPAC name of 2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (CID 168626121) is 2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is CC1CCCCN1Cc1cccc(C=NNc2nc(N)cs2)c1.
What is the InChIKey of 2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is VDYTXZFSSATBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-13-5-2-3-8-22(13)11-15-7-4-6-14(9-15)10-19-21-17-20-16(18)12-23-17/h4,6-7,9-10,12-13H,2-3,5,8,11,18H2,1H3,(H,20,21).
What are the key properties of 2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 329.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[3-[(2-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168626121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).