1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine

C15H19ClN2S — CID 103717175

IUPAC1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCc1cnc(CNC(CC)c2cccc(Cl)c2)s1
InChIInChI=1S/C15H19ClN2S/c1-3-13-9-18-15(19-13)10-17-14(4-2)11-6-5-7-12(16)8-11/h5-9,14,17H,3-4,10H2,1-2H3
InChIKeyZRXZFBHSMBMRNT-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.60
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine

1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 103717175) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID103717175
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCc1cnc(CNC(CC)c2cccc(Cl)c2)s1
InChIInChI=1S/C15H19ClN2S/c1-3-13-9-18-15(19-13)10-17-14(4-2)11-6-5-7-12(16)8-11/h5-9,14,17H,3-4,10H2,1-2H3
InChIKeyZRXZFBHSMBMRNT-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 102612860
1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103787159
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103787067
(1S)-1-(3-chlorophenyl)-N-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 125142718
1-(3-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102831822
N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine
CID 43674094
1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43674084
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43674087
1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206298
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369
1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787028
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 103717175) is 1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCc1cnc(CNC(CC)c2cccc(Cl)c2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is ZRXZFBHSMBMRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-3-13-9-18-15(19-13)10-17-14(4-2)11-6-5-7-12(16)8-11/h5-9,14,17H,3-4,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 294.85 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 103717175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).