3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide

C19H21N3OS2 — CID 110627746

IUPAC3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc(CCNC(=O)CCc2sc(N)nc2-c2cccs2)c1
InChIInChI=1S/C19H21N3OS2/c1-13-4-2-5-14(12-13)9-10-21-17(23)8-7-16-18(22-19(20)25-16)15-6-3-11-24-15/h2-6,11-12H,7-10H2,1H3,(H2,20,22)(H,21,23)
InChIKeyDTSLAEZRGBKWMM-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.05
Rot. Bonds7

About 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide (PubChem CID 110627746) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
PubChem CID110627746
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC Name3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc(CCNC(=O)CCc2sc(N)nc2-c2cccs2)c1
InChIInChI=1S/C19H21N3OS2/c1-13-4-2-5-14(12-13)9-10-21-17(23)8-7-16-18(22-19(20)25-16)15-6-3-11-24-15/h2-6,11-12H,7-10H2,1H3,(H2,20,22)(H,21,23)
InChIKeyDTSLAEZRGBKWMM-UHFFFAOYSA-N
XLogP4.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(4-methoxybutyl)propanamide
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3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
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3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
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3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
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3-amino-N-[2-(3-methylphenyl)ethyl]thiophene-2-carboxamide
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3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
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N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
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3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide (CID 110627746) is 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide is Cc1cccc(CCNC(=O)CCc2sc(N)nc2-c2cccs2)c1.
What is the InChIKey of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide?
The InChIKey is DTSLAEZRGBKWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-13-4-2-5-14(12-13)9-10-21-17(23)8-7-16-18(22-19(20)25-16)15-6-3-11-24-15/h2-6,11-12H,7-10H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide?
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide has a molecular weight of 371.53 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-[2-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 110627746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).