N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide

C14H17N3OS — CID 64555861

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C(C)N)cs2)cc1C
InChIInChI=1S/C14H17N3OS/c1-8-4-5-11(6-9(8)2)13(18)17-14-16-12(7-19-14)10(3)15/h4-7,10H,15H2,1-3H3,(H,16,17,18)
InChIKeyDSXNDSGREIZEPU-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.03
Rot. Bonds3

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide (PubChem CID 64555861) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
PubChem CID64555861
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C(C)N)cs2)cc1C
InChIInChI=1S/C14H17N3OS/c1-8-4-5-11(6-9(8)2)13(18)17-14-16-12(7-19-14)10(3)15/h4-7,10H,15H2,1-3H3,(H,16,17,18)
InChIKeyDSXNDSGREIZEPU-UHFFFAOYSA-N
XLogP3.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 64556664
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257
3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 63213843
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-3-methylbenzamide
CID 81482142
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide
CID 64557841
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 64558469
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
N-(diaminomethyl)-3,4-dimethylbenzamide
CID 154522714
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide (CID 64555861) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2nc(C(C)N)cs2)cc1C.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide?
The InChIKey is DSXNDSGREIZEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8-4-5-11(6-9(8)2)13(18)17-14-16-12(7-19-14)10(3)15/h4-7,10H,15H2,1-3H3,(H,16,17,18).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide has a molecular weight of 275.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 64555861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).