N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

C19H21ClN4OS — CID 74777657

IUPACN-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCn1ccc(-c2sc(NCC(Cl)=Cc3ccccc3)nc2C)n1
InChIInChI=1S/C19H21ClN4OS/c1-14-18(17-8-9-24(23-17)10-11-25-2)26-19(22-14)21-13-16(20)12-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyZGXWWJDJPWRWIQ-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.65
Rot. Bonds8

About N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine

N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 74777657) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID74777657
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC NameN-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCn1ccc(-c2sc(NCC(Cl)=Cc3ccccc3)nc2C)n1
InChIInChI=1S/C19H21ClN4OS/c1-14-18(17-8-9-24(23-17)10-11-25-2)26-19(22-14)21-13-16(20)12-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyZGXWWJDJPWRWIQ-UHFFFAOYSA-N
XLogP4.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 74777657) is N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is COCCn1ccc(-c2sc(NCC(Cl)=Cc3ccccc3)nc2C)n1.
What is the InChIKey of N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ZGXWWJDJPWRWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-14-18(17-8-9-24(23-17)10-11-25-2)26-19(22-14)21-13-16(20)12-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 388.92 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-phenylprop-2-enyl)-5-[1-(2-methoxyethyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 74777657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).