4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide

C16H21N3OS — CID 110746492

IUPAC4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccc(N(C)C)cc2)sc1C
InChIInChI=1S/C16H21N3OS/c1-11-12(2)21-15(18-11)9-10-17-16(20)13-5-7-14(8-6-13)19(3)4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyCGKDQFXIMGHFHE-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.80
Rot. Bonds5

About 4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide

4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110746492) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110746492
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2ccc(N(C)C)cc2)sc1C
InChIInChI=1S/C16H21N3OS/c1-11-12(2)21-15(18-11)9-10-17-16(20)13-5-7-14(8-6-13)19(3)4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyCGKDQFXIMGHFHE-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131949243
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
CID 110739449
4-(4-acetamidopyrazol-1-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 126463741
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
CID 26082273
4-(dimethylamino)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537724
5-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylbenzamide;dihydrochloride
CID 120647219
4-(dimethylamino)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 47093407
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
2-(4-aminophenyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119891738

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 110746492) is 4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1nc(CCNC(=O)c2ccc(N(C)C)cc2)sc1C.
What is the InChIKey of 4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is CGKDQFXIMGHFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-12(2)21-15(18-11)9-10-17-16(20)13-5-7-14(8-6-13)19(3)4/h5-8H,9-10H2,1-4H3,(H,17,20).
What are the key properties of 4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide?
4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 303.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110746492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).