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

C16H21N3OS — CID 110442520

IUPAC3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
SMILESCc1csc(-c2ccccc2CNC(=O)CCN(C)C)n1
InChIInChI=1S/C16H21N3OS/c1-12-11-21-16(18-12)14-7-5-4-6-13(14)10-17-15(20)8-9-19(2)3/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyUAJVJXREHSTUIC-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.69
Rot. Bonds6

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

3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide (PubChem CID 110442520) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
PubChem CID110442520
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
SMILESCc1csc(-c2ccccc2CNC(=O)CCN(C)C)n1
InChIInChI=1S/C16H21N3OS/c1-12-11-21-16(18-12)14-7-5-4-6-13(14)10-17-15(20)8-9-19(2)3/h4-7,11H,8-10H2,1-3H3,(H,17,20)
InChIKeyUAJVJXREHSTUIC-UHFFFAOYSA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea
CID 110443864
N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 110444632
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 87050246
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315920
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55618608
1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 110443866
N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 87050229
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
N-[(2-chlorophenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47801553
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide (CID 110442520) is 3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide is Cc1csc(-c2ccccc2CNC(=O)CCN(C)C)n1.
What is the InChIKey of 3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The InChIKey is UAJVJXREHSTUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-11-21-16(18-12)14-7-5-4-6-13(14)10-17-15(20)8-9-19(2)3/h4-7,11H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide has a molecular weight of 303.43 g/mol, XLogP of 2.69, 6 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-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 110442520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).