N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C13H17ClN2S2 — CID 105135164

IUPACN-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)c1scnc1C
InChIInChI=1S/C13H17ClN2S2/c1-3-6-15-11(13-9(2)16-8-17-13)7-10-4-5-12(14)18-10/h4-5,8,11,15H,3,6-7H2,1-2H3
InChIKeyUXRYWROOCKLRKI-UHFFFAOYSA-N
MW300.88 g/mol
LogP4.45
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105135164) has the molecular formula C13H17ClN2S2 and a molecular weight of 300.88 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID105135164
Molecular FormulaC13H17ClN2S2
Molecular Weight300.88 g/mol
Exact Mass300.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)c1scnc1C
InChIInChI=1S/C13H17ClN2S2/c1-3-6-15-11(13-9(2)16-8-17-13)7-10-4-5-12(14)18-10/h4-5,8,11,15H,3,6-7H2,1-2H3
InChIKeyUXRYWROOCKLRKI-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylphenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105101589
2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105135057
N-[2-(2-bromophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105087531
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine
CID 62599941
N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105158823
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105180346
N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 115841861
N-[1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63411936
N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107102196
N-[2-ethoxy-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105165095
N-[1-(3-bromo-4-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841797

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 105135164) is N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)s1)c1scnc1C.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is UXRYWROOCKLRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S2/c1-3-6-15-11(13-9(2)16-8-17-13)7-10-4-5-12(14)18-10/h4-5,8,11,15H,3,6-7H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 300.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105135164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).