N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine

C15H20N2S2 — CID 64649007

IUPACN-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)Sc1nc(C)cs1
InChIInChI=1S/C15H20N2S2/c1-4-16-14(13-8-6-5-7-9-13)12(3)19-15-17-11(2)10-18-15/h5-10,12,14,16H,4H2,1-3H3
InChIKeyDHGHGBXQPJHWAR-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.28
Rot. Bonds6

About N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine

N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine (PubChem CID 64649007) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine
PubChem CID64649007
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)Sc1nc(C)cs1
InChIInChI=1S/C15H20N2S2/c1-4-16-14(13-8-6-5-7-9-13)12(3)19-15-17-11(2)10-18-15/h5-10,12,14,16H,4H2,1-3H3
InChIKeyDHGHGBXQPJHWAR-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64650183
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine
CID 64650376
N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
CID 64647840
N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine
CID 64648445
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
CID 30007087
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline
CID 62578541
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-N-propylpropan-1-amine
CID 64650635
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650383
N-ethyl-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64648695
2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64634165
N-ethyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61331441

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine?
The IUPAC name of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine (CID 64649007) is N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine is CCNC(c1ccccc1)C(C)Sc1nc(C)cs1.
What is the InChIKey of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine?
The InChIKey is DHGHGBXQPJHWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-4-16-14(13-8-6-5-7-9-13)12(3)19-15-17-11(2)10-18-15/h5-10,12,14,16H,4H2,1-3H3.
What are the key properties of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine?
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 64649007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).