2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

C18H25N5O2S — CID 168627162

IUPAC2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2ccc(OCCCCN3CCOCC3)cc2)n1
InChIInChI=1S/C18H25N5O2S/c19-17-14-26-18(21-17)22-20-13-15-3-5-16(6-4-15)25-10-2-1-7-23-8-11-24-12-9-23/h3-6,13-14H,1-2,7-12,19H2,(H,21,22)
InChIKeyVDTQZEWZAYUJFN-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.66
Rot. Bonds9

About 2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168627162) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168627162
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2ccc(OCCCCN3CCOCC3)cc2)n1
InChIInChI=1S/C18H25N5O2S/c19-17-14-26-18(21-17)22-20-13-15-3-5-16(6-4-15)25-10-2-1-7-23-8-11-24-12-9-23/h3-6,13-14H,1-2,7-12,19H2,(H,21,22)
InChIKeyVDTQZEWZAYUJFN-UHFFFAOYSA-N
XLogP2.66
TPSA85.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627165
2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625760
N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
CID 169383010
6-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]hexanenitrile
CID 168627446
2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625936
2-[3-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]propyl]isoindole-1,3-dione
CID 168628046
2-N-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625935
[[4-(3-morpholin-4-ylpropoxy)phenyl]methylideneamino]urea
CID 168533014
2-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]guanidine
CID 168592435
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
2-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626098
2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625847

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (CID 168627162) is 2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2ccc(OCCCCN3CCOCC3)cc2)n1.
What is the InChIKey of 2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is VDTQZEWZAYUJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c19-17-14-26-18(21-17)22-20-13-15-3-5-16(6-4-15)25-10-2-1-7-23-8-11-24-12-9-23/h3-6,13-14H,1-2,7-12,19H2,(H,21,22).
What are the key properties of 2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 375.50 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168627162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).