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

C17H24N2S2 — CID 66088179

IUPACN-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(CSc2cccc(C)c2)nc1C
InChIInChI=1S/C17H24N2S2/c1-5-9-18-13(3)17-14(4)19-16(21-17)11-20-15-8-6-7-12(2)10-15/h6-8,10,13,18H,5,9,11H2,1-4H3
InChIKeyQVESRIALONPGCT-UHFFFAOYSA-N
MW320.53 g/mol
LogP5.11
Rot. Bonds7

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

N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 66088179) has the molecular formula C17H24N2S2 and a molecular weight of 320.53 g/mol. Its IUPAC name is N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID66088179
Molecular FormulaC17H24N2S2
Molecular Weight320.53 g/mol
Exact Mass320.14
IUPAC NameN-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(CSc2cccc(C)c2)nc1C
InChIInChI=1S/C17H24N2S2/c1-5-9-18-13(3)17-14(4)19-16(21-17)11-20-15-8-6-7-12(2)10-15/h6-8,10,13,18H,5,9,11H2,1-4H3
InChIKeyQVESRIALONPGCT-UHFFFAOYSA-N
XLogP5.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 66055519
N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 63447093
4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine
CID 64625894
1-[4-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841198
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61280533
4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 112694962
N-[1-[3-(2-methylpropylsulfanyl)phenyl]ethyl]propan-1-amine
CID 64664023
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
4-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-5-carboxylic acid
CID 113459171
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-[2-(3-methylphenyl)sulfanylethyl]pentan-2-amine
CID 62580487

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 66088179) is N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(CSc2cccc(C)c2)nc1C.
What is the InChIKey of N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is QVESRIALONPGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S2/c1-5-9-18-13(3)17-14(4)19-16(21-17)11-20-15-8-6-7-12(2)10-15/h6-8,10,13,18H,5,9,11H2,1-4H3.
What are the key properties of N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 320.53 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 66088179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).