N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

C24H27Cl2N3S — CID 19374883

IUPACN-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccncc1)C1CCCC1
InChIInChI=1S/C24H27Cl2N3S/c1-3-14-29(23(17-6-4-5-7-17)18-10-12-27-13-11-18)24-28-22(16(2)30-24)20-9-8-19(25)15-21(20)26/h8-13,15,17,23H,3-7,14H2,1-2H3
InChIKeyJSQIPVBGKJMKNQ-UHFFFAOYSA-N
MW460.47 g/mol
LogP7.97
Rot. Bonds7

About N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 19374883) has the molecular formula C24H27Cl2N3S and a molecular weight of 460.47 g/mol. Its IUPAC name is N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID19374883
Molecular FormulaC24H27Cl2N3S
Molecular Weight460.47 g/mol
Exact Mass459.13
IUPAC NameN-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccncc1)C1CCCC1
InChIInChI=1S/C24H27Cl2N3S/c1-3-14-29(23(17-6-4-5-7-17)18-10-12-27-13-11-18)24-28-22(16(2)30-24)20-9-8-19(25)15-21(20)26/h8-13,15,17,23H,3-7,14H2,1-2H3
InChIKeyJSQIPVBGKJMKNQ-UHFFFAOYSA-N
XLogP7.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.47
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374879
4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374892
[4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite
CID 174367590
2-cyclopropyl-2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]-1-(1H-imidazol-5-yl)ethanone
CID 139631526
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-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 18967784
[2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]-2-phenylethyl] acetate
CID 15291627
4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 18967770
N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 19374852
2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17377181
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (CID 19374883) is N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccncc1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is JSQIPVBGKJMKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3S/c1-3-14-29(23(17-6-4-5-7-17)18-10-12-27-13-11-18)24-28-22(16(2)30-24)20-9-8-19(25)15-21(20)26/h8-13,15,17,23H,3-7,14H2,1-2H3.
What are the key properties of N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 460.47 g/mol, XLogP of 7.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 19374883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).