4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

C14H18N2OS — CID 115922548

IUPAC4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCCCOc1ccc(NC(C)c2cncs2)cc1
InChIInChI=1S/C14H18N2OS/c1-3-8-17-13-6-4-12(5-7-13)16-11(2)14-9-15-10-18-14/h4-7,9-11,16H,3,8H2,1-2H3
InChIKeySKICFKRHMWCMAS-UHFFFAOYSA-N
MW262.38 g/mol
LogP4.11
Rot. Bonds6

About 4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline

4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 115922548) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
PubChem CID115922548
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
SMILESCCCOc1ccc(NC(C)c2cncs2)cc1
InChIInChI=1S/C14H18N2OS/c1-3-8-17-13-6-4-12(5-7-13)16-11(2)14-9-15-10-18-14/h4-7,9-11,16H,3,8H2,1-2H3
InChIKeySKICFKRHMWCMAS-UHFFFAOYSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-4-propoxyaniline
CID 107354355
N-propan-2-yl-4-propoxyaniline
CID 21311809
3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917806
3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928826
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
CID 83118967
3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115707940
N-[1-(1,3-thiazol-5-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 115922153
N-butan-2-yl-4-propoxyaniline
CID 21311789
2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
CID 115917200
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propoxyaniline
CID 63753114
N-(1,1-difluoropropan-2-yl)-4-propoxyaniline
CID 102869475
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline (CID 115922548) is 4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is CCCOc1ccc(NC(C)c2cncs2)cc1.
What is the InChIKey of 4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is SKICFKRHMWCMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-8-17-13-6-4-12(5-7-13)16-11(2)14-9-15-10-18-14/h4-7,9-11,16H,3,8H2,1-2H3.
What are the key properties of 4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline?
4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 262.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 115922548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).