5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine

C14H17ClN2OS — CID 107622755

IUPAC5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H17ClN2OS/c1-3-4-11-13(19-14(16)17-11)8-9-5-6-10(15)12(7-9)18-2/h5-7H,3-4,8H2,1-2H3,(H2,16,17)
InChIKeyZPFSIQDTEFBVMV-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.93
Rot. Bonds5

About 5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine

5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 107622755) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID107622755
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H17ClN2OS/c1-3-4-11-13(19-14(16)17-11)8-9-5-6-10(15)12(7-9)18-2/h5-7H,3-4,8H2,1-2H3,(H2,16,17)
InChIKeyZPFSIQDTEFBVMV-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-propan-2-ylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63399362
5-[(4-nitrophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 19775545
4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62813752
5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 83077713
5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 107622752
5-[(2-bromo-4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 81275594
5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 81274693
5-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62067040
5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 107577222
5-[[2-(methoxymethyl)phenyl]methyl]-4-propyl-1,3-thiazol-2-amine
CID 62064336
2-[(3-chloro-4-methoxyphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154226
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine (CID 107622755) is 5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N)sc1Cc1ccc(Cl)c(OC)c1.
What is the InChIKey of 5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is ZPFSIQDTEFBVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-3-4-11-13(19-14(16)17-11)8-9-5-6-10(15)12(7-9)18-2/h5-7H,3-4,8H2,1-2H3,(H2,16,17).
What are the key properties of 5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 296.82 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methoxyphenyl)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107622755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).