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

C12H21N3OS — CID 119881810

IUPAC3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
SMILESCc1nc(C)c(C(C)N(C)C(=O)CC(C)N)s1
InChIInChI=1S/C12H21N3OS/c1-7(13)6-11(16)15(5)9(3)12-8(2)14-10(4)17-12/h7,9H,6,13H2,1-5H3
InChIKeyWANFYBMJORISHW-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.02
Rot. Bonds4

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

3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide (PubChem CID 119881810) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
PubChem CID119881810
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
SMILESCc1nc(C)c(C(C)N(C)C(=O)CC(C)N)s1
InChIInChI=1S/C12H21N3OS/c1-7(13)6-11(16)15(5)9(3)12-8(2)14-10(4)17-12/h7,9H,6,13H2,1-5H3
InChIKeyWANFYBMJORISHW-UHFFFAOYSA-N
XLogP2.02
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 119881804
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide;dihydrochloride
CID 119881817
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride
CID 119881785
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 56782362
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 56782372
4-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184527
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide
CID 138038549
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-3-methylbutanoic acid
CID 110838629
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976019
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124693977
4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119892961

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide (CID 119881810) is 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide is Cc1nc(C)c(C(C)N(C)C(=O)CC(C)N)s1.
What is the InChIKey of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide?
The InChIKey is WANFYBMJORISHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-7(13)6-11(16)15(5)9(3)12-8(2)14-10(4)17-12/h7,9H,6,13H2,1-5H3.
What are the key properties of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide?
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide has a molecular weight of 255.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 119881810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).