N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine

C20H22Cl2N4S — CID 19374852

IUPACN-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCC(Nc1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1cnc[nH]1)C1CC1
InChIInChI=1S/C20H22Cl2N4S/c1-3-16(18(12-4-5-12)17-9-23-10-24-17)25-20-26-19(11(2)27-20)14-7-6-13(21)8-15(14)22/h6-10,12,16,18H,3-5H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyFIYVBZPCJSYKAJ-UHFFFAOYSA-N
MW421.40 g/mol
LogP6.53
Rot. Bonds7

About N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine

N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 19374852) has the molecular formula C20H22Cl2N4S and a molecular weight of 421.40 g/mol. Its IUPAC name is N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID19374852
Molecular FormulaC20H22Cl2N4S
Molecular Weight421.40 g/mol
Exact Mass420.09
IUPAC NameN-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCC(Nc1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1cnc[nH]1)C1CC1
InChIInChI=1S/C20H22Cl2N4S/c1-3-16(18(12-4-5-12)17-9-23-10-24-17)25-20-26-19(11(2)27-20)14-7-6-13(21)8-15(14)22/h6-10,12,16,18H,3-5H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyFIYVBZPCJSYKAJ-UHFFFAOYSA-N
XLogP6.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.40
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine (CID 19374852) is N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine is CCC(Nc1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1cnc[nH]1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is FIYVBZPCJSYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4S/c1-3-16(18(12-4-5-12)17-9-23-10-24-17)25-20-26-19(11(2)27-20)14-7-6-13(21)8-15(14)22/h6-10,12,16,18H,3-5H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine?
N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 421.40 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 19374852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).