N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline

C16H16N2S2 — CID 60935914

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
SMILESCc1ccc(C(C)Nc2cccc(-c3nccs3)c2)s1
InChIInChI=1S/C16H16N2S2/c1-11-6-7-15(20-11)12(2)18-14-5-3-4-13(10-14)16-17-8-9-19-16/h3-10,12,18H,1-2H3
InChIKeyPZWVVMCTRXDDBM-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.35
Rot. Bonds4

About N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline

N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline (PubChem CID 60935914) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
PubChem CID60935914
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
SMILESCc1ccc(C(C)Nc2cccc(-c3nccs3)c2)s1
InChIInChI=1S/C16H16N2S2/c1-11-6-7-15(20-11)12(2)18-14-5-3-4-13(10-14)16-17-8-9-19-16/h3-10,12,18H,1-2H3
InChIKeyPZWVVMCTRXDDBM-UHFFFAOYSA-N
XLogP5.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936544
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 54881716
N-heptan-4-yl-3-(1,3-thiazol-2-yl)aniline
CID 55193873
N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
CID 54864648
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60927533
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43095809
N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
CID 43716871
3-(2-methylpropoxy)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 63449719
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185
N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline
CID 103561673

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline (CID 60935914) is N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline is Cc1ccc(C(C)Nc2cccc(-c3nccs3)c2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is PZWVVMCTRXDDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-11-6-7-15(20-11)12(2)18-14-5-3-4-13(10-14)16-17-8-9-19-16/h3-10,12,18H,1-2H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline?
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 300.45 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 60935914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).