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

C12H21N3OS — CID 110388675

IUPACN-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(CCC(=O)NCCN(C)C)sc1C
InChIInChI=1S/C12H21N3OS/c1-9-10(2)17-12(14-9)6-5-11(16)13-7-8-15(3)4/h5-8H2,1-4H3,(H,13,16)
InChIKeyQLDXCPRTJLVQCK-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.37
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 110388675) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID110388675
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(CCC(=O)NCCN(C)C)sc1C
InChIInChI=1S/C12H21N3OS/c1-9-10(2)17-12(14-9)6-5-11(16)13-7-8-15(3)4/h5-8H2,1-4H3,(H,13,16)
InChIKeyQLDXCPRTJLVQCK-UHFFFAOYSA-N
XLogP1.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 120565744
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 91760478
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388742
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110388696
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 118795070
N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388753
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
5-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354661
3-bromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110091
2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 7412309
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 119891761

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 110388675) is N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is Cc1nc(CCC(=O)NCCN(C)C)sc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QLDXCPRTJLVQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-10(2)17-12(14-9)6-5-11(16)13-7-8-15(3)4/h5-8H2,1-4H3,(H,13,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 255.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110388675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).