3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide

C16H21N3OS — CID 43725374

IUPAC3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
SMILESCc1nc(C(C)Nc2cccc(C(=O)N(C)C)c2)c(C)s1
InChIInChI=1S/C16H21N3OS/c1-10(15-11(2)21-12(3)18-15)17-14-8-6-7-13(9-14)16(20)19(4)5/h6-10,17H,1-5H3
InChIKeyDWXCBCOXAXREOW-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.63
Rot. Bonds4

About 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide

3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide (PubChem CID 43725374) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
PubChem CID43725374
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
SMILESCc1nc(C(C)Nc2cccc(C(=O)N(C)C)c2)c(C)s1
InChIInChI=1S/C16H21N3OS/c1-10(15-11(2)21-12(3)18-15)17-14-8-6-7-13(9-14)16(20)19(4)5/h6-10,17H,1-5H3
InChIKeyDWXCBCOXAXREOW-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
CID 43100230
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 43738248
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethynylaniline
CID 43200554
N,N-dimethyl-3-(1-thiophen-3-ylethylamino)benzamide
CID 55032863
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943708
N,N-dimethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 43725466
3-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylaniline
CID 43105437
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
CID 63751777
2-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenoxy]acetonitrile
CID 43721074
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline
CID 43124277
4-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylaniline
CID 107571938
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide (CID 43725374) is 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide is Cc1nc(C(C)Nc2cccc(C(=O)N(C)C)c2)c(C)s1.
What is the InChIKey of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide?
The InChIKey is DWXCBCOXAXREOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10(15-11(2)21-12(3)18-15)17-14-8-6-7-13(9-14)16(20)19(4)5/h6-10,17H,1-5H3.
What are the key properties of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide?
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide has a molecular weight of 303.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43725374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).