5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine

C13H15ClN2S2 — CID 79775087

IUPAC5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSc2cccc(Cl)c2)s1
InChIInChI=1S/C13H15ClN2S2/c1-2-6-15-13-16-8-12(18-13)9-17-11-5-3-4-10(14)7-11/h3-5,7-8H,2,6,9H2,1H3,(H,15,16)
InChIKeyCYYDZVKQINIARX-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.91
Rot. Bonds6

About 5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine

5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79775087) has the molecular formula C13H15ClN2S2 and a molecular weight of 298.86 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79775087
Molecular FormulaC13H15ClN2S2
Molecular Weight298.86 g/mol
Exact Mass298.04
IUPAC Name5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSc2cccc(Cl)c2)s1
InChIInChI=1S/C13H15ClN2S2/c1-2-6-15-13-16-8-12(18-13)9-17-11-5-3-4-10(14)7-11/h3-5,7-8H,2,6,9H2,1H3,(H,15,16)
InChIKeyCYYDZVKQINIARX-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775075
5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79760535
N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79775172
5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775276
N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774133
5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79774624
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79773840
1-[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 66146662
N-[[3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 66145752
5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774791
6-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one
CID 79774651

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine (CID 79775087) is 5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CSc2cccc(Cl)c2)s1.
What is the InChIKey of 5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is CYYDZVKQINIARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S2/c1-2-6-15-13-16-8-12(18-13)9-17-11-5-3-4-10(14)7-11/h3-5,7-8H,2,6,9H2,1H3,(H,15,16).
What are the key properties of 5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 298.86 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79775087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).