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

C15H20N2S2 — CID 64650183

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

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

N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine (PubChem CID 64650183) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
PubChem CID64650183
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
SMILESCCC(Sc1nc(C)cs1)C(NC)c1ccccc1
InChIInChI=1S/C15H20N2S2/c1-4-13(19-15-17-11(2)10-18-15)14(16-3)12-8-6-5-7-9-12/h5-10,13-14,16H,4H2,1-3H3
InChIKeyMIADUCPHMHWXLE-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-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-amine
CID 64649007
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650383
N-methyl-1-(4-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
CID 64647840
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylbutan-1-amine
CID 64632583
2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine
CID 64614445
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline
CID 62578541
N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64650109
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]propanamide
CID 30007087
4-methyl-3-[1-(methylamino)-1-phenylbutan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64632173
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine
CID 64650376
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 8936461
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 64897892

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine?
The IUPAC name of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine (CID 64650183) is N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine is CCC(Sc1nc(C)cs1)C(NC)c1ccccc1.
What is the InChIKey of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine?
The InChIKey is MIADUCPHMHWXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-4-13(19-15-17-11(2)10-18-15)14(16-3)12-8-6-5-7-9-12/h5-10,13-14,16H,4H2,1-3H3.
What are the key properties of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine?
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-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-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 64650183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).