[4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite

C24H25Cl2N2O3S2- — CID 174367590

IUPAC[4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccc(COS(=O)[O-])cc1)C1CC1
InChIInChI=1S/C24H26Cl2N2O3S2/c1-3-12-28(24-27-22(15(2)32-24)20-11-10-19(25)13-21(20)26)23(18-8-9-18)17-6-4-16(5-7-17)14-31-33(29)30/h4-7,10-11,13,18,23H,3,8-9,12,14H2,1-2H3,(H,29,30)/p-1
InChIKeyICTDJRXZEYEXIG-UHFFFAOYSA-M
MW524.52 g/mol
LogP7.10
Rot. Bonds10

About [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite

[4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite (PubChem CID 174367590) has the molecular formula C24H25Cl2N2O3S2- and a molecular weight of 524.52 g/mol. Its IUPAC name is [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite.

Molecular Properties

Compound Name[4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite
PubChem CID174367590
Molecular FormulaC24H25Cl2N2O3S2-
Molecular Weight524.52 g/mol
Exact Mass523.07
IUPAC Name[4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccc(COS(=O)[O-])cc1)C1CC1
InChIInChI=1S/C24H26Cl2N2O3S2/c1-3-12-28(24-27-22(15(2)32-24)20-11-10-19(25)13-21(20)26)23(18-8-9-18)17-6-4-16(5-7-17)14-31-33(29)30/h4-7,10-11,13,18,23H,3,8-9,12,14H2,1-2H3,(H,29,30)/p-1
InChIKeyICTDJRXZEYEXIG-UHFFFAOYSA-M
XLogP7.10
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.52
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite with MolForge

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Launch Full Analysis

Related Compounds

N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374879
N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374883
4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374892
2-cyclopropyl-2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]-1-(1H-imidazol-5-yl)ethanone
CID 139631526
[2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]-2-phenylethyl] acetate
CID 15291627
4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 18967784
4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine
CID 57149312
4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 18967770
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 19374852
4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine
CID 67660692
4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine
CID 87619643

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite?
The IUPAC name of [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite (CID 174367590) is [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite.
What is the SMILES notation for [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite?
The canonical SMILES for [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite is CCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccc(COS(=O)[O-])cc1)C1CC1.
What is the InChIKey of [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite?
The InChIKey is ICTDJRXZEYEXIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26Cl2N2O3S2/c1-3-12-28(24-27-22(15(2)32-24)20-11-10-19(25)13-21(20)26)23(18-8-9-18)17-6-4-16(5-7-17)14-31-33(29)30/h4-7,10-11,13,18,23H,3,8-9,12,14H2,1-2H3,(H,29,30)/p-1.
What are the key properties of [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite?
[4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite has a molecular weight of 524.52 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite is sourced from PubChem (CID 174367590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).