N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine

C16H22N2S2 — CID 105164419

IUPACN-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(CCSC)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H22N2S2/c1-3-17-14(9-10-19-2)11-16-18-15(12-20-16)13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3
InChIKeyNLUFLUNXNXNLAB-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.08
Rot. Bonds8

About N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine

N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 105164419) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID105164419
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC NameN-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCCNC(CCSC)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H22N2S2/c1-3-17-14(9-10-19-2)11-16-18-15(12-20-16)13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3
InChIKeyNLUFLUNXNXNLAB-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516842
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 79825345
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 116504657
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
2-amino-4-methylsulfanylbutanal;N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 153333182
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105164412
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine (CID 105164419) is N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine is CCNC(CCSC)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is NLUFLUNXNXNLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-3-17-14(9-10-19-2)11-16-18-15(12-20-16)13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3.
What are the key properties of N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine?
N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 306.50 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 105164419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).