3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

C16H21N3OS — CID 110442461

IUPAC3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCN(C)CCC(=O)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21N3OS/c1-19(2)11-9-15(20)17-10-8-16-18-14(12-21-16)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,20)
InChIKeySDZHHFAYLJOIQG-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.42
Rot. Bonds7

About 3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide

3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 110442461) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID110442461
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCN(C)CCC(=O)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21N3OS/c1-19(2)11-9-15(20)17-10-8-16-18-14(12-21-16)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,20)
InChIKeySDZHHFAYLJOIQG-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 25386042
3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 90649319
3-(dimethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442482
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
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N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 77079887
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 51593466

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 110442461) is 3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is CN(C)CCC(=O)NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is SDZHHFAYLJOIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19(2)11-9-15(20)17-10-8-16-18-14(12-21-16)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide?
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 303.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 110442461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).