3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide

C14H20ClN3O2S — CID 42663901

IUPAC3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide
SMILESC=CCN(CC(=O)Nc1ncc(C)s1)C(=O)C(C)(C)CCl
InChIInChI=1S/C14H20ClN3O2S/c1-5-6-18(12(20)14(3,4)9-15)8-11(19)17-13-16-7-10(2)21-13/h5,7H,1,6,8-9H2,2-4H3,(H,16,17,19)
InChIKeyRIWFFRZFYIHRCT-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.67
Rot. Bonds7

About 3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide

3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide (PubChem CID 42663901) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide
PubChem CID42663901
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide
SMILESC=CCN(CC(=O)Nc1ncc(C)s1)C(=O)C(C)(C)CCl
InChIInChI=1S/C14H20ClN3O2S/c1-5-6-18(12(20)14(3,4)9-15)8-11(19)17-13-16-7-10(2)21-13/h5,7H,1,6,8-9H2,2-4H3,(H,16,17,19)
InChIKeyRIWFFRZFYIHRCT-UHFFFAOYSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide
CID 42770820
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylfuran-2-carboxamide
CID 4155792
N-butyl-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663883
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 55246582
N-(5-methyl-1,3-thiazol-2-yl)-2-[prop-2-enyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 42768537
2-[butyl(dimethylcarbamoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3424676
N-(2-methoxyethyl)-2-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663870
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814353
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 5146409
N-butyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 42663885

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide (CID 42663901) is 3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide is C=CCN(CC(=O)Nc1ncc(C)s1)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide?
The InChIKey is RIWFFRZFYIHRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-5-6-18(12(20)14(3,4)9-15)8-11(19)17-13-16-7-10(2)21-13/h5,7H,1,6,8-9H2,2-4H3,(H,16,17,19).
What are the key properties of 3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide?
3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide has a molecular weight of 329.85 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 42663901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).