N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine

C14H17ClN2S — CID 114076795

IUPACN-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cc2nccs2)ccc1Cl
InChIInChI=1S/C14H17ClN2S/c1-10(2)17-9-12-7-11(3-4-13(12)15)8-14-16-5-6-18-14/h3-7,10,17H,8-9H2,1-2H3
InChIKeyGGOYOWFSRKLMKW-UHFFFAOYSA-N
MW280.82 g/mol
LogP3.89
Rot. Bonds5

About N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine

N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine (PubChem CID 114076795) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine
PubChem CID114076795
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC NameN-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cc2nccs2)ccc1Cl
InChIInChI=1S/C14H17ClN2S/c1-10(2)17-9-12-7-11(3-4-13(12)15)8-14-16-5-6-18-14/h3-7,10,17H,8-9H2,1-2H3
InChIKeyGGOYOWFSRKLMKW-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796
1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79823518
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610339
N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine
CID 79824734
N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
CID 79824844
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898
1-[5-chloro-2-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79824960
[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
CID 79824515
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 83235908
N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine
CID 114076744
N-[[3-fluoro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610621
N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
CID 79824851

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine (CID 114076795) is N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(Cc2nccs2)ccc1Cl.
What is the InChIKey of N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine?
The InChIKey is GGOYOWFSRKLMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-10(2)17-9-12-7-11(3-4-13(12)15)8-14-16-5-6-18-14/h3-7,10,17H,8-9H2,1-2H3.
What are the key properties of N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine?
N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine has a molecular weight of 280.82 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114076795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).