N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C21H24N4OS — CID 168579344

IUPACN-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCN(C)CCCOc1ccccc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H24N4OS/c1-25(2)13-8-14-26-20-12-7-6-11-18(20)15-22-24-21-23-19(16-27-21)17-9-4-3-5-10-17/h3-7,9-12,15-16H,8,13-14H2,1-2H3,(H,23,24)
InChIKeyCIOGFGQZMWAEQC-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.59
Rot. Bonds9

About N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168579344) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168579344
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCN(C)CCCOc1ccccc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H24N4OS/c1-25(2)13-8-14-26-20-12-7-6-11-18(20)15-22-24-21-23-19(16-27-21)17-9-4-3-5-10-17/h3-7,9-12,15-16H,8,13-14H2,1-2H3,(H,23,24)
InChIKeyCIOGFGQZMWAEQC-UHFFFAOYSA-N
XLogP4.59
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168578832
N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577257
N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168578363
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 94841954
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579175
4-phenyl-N-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577681
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577150
N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577031
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776
N-[(E)-(2-hexoxyphenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 110339479

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168579344) is N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CN(C)CCCOc1ccccc1C=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is CIOGFGQZMWAEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-25(2)13-8-14-26-20-12-7-6-11-18(20)15-22-24-21-23-19(16-27-21)17-9-4-3-5-10-17/h3-7,9-12,15-16H,8,13-14H2,1-2H3,(H,23,24).
What are the key properties of N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 380.52 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168579344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).