N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide

C14H15N3OS — CID 78836517

IUPACN-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCc1nc(C=CC(=O)N(C)Cc2cccnc2)cs1
InChIInChI=1S/C14H15N3OS/c1-11-16-13(10-19-11)5-6-14(18)17(2)9-12-4-3-7-15-8-12/h3-8,10H,9H2,1-2H3
InChIKeyLQWWRIWGFLJDKU-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.52
Rot. Bonds4

About N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide

N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 78836517) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID78836517
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCc1nc(C=CC(=O)N(C)Cc2cccnc2)cs1
InChIInChI=1S/C14H15N3OS/c1-11-16-13(10-19-11)5-6-14(18)17(2)9-12-4-3-7-15-8-12/h3-8,10H,9H2,1-2H3
InChIKeyLQWWRIWGFLJDKU-UHFFFAOYSA-N
XLogP2.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 43055213
N-(2-hydroxypropyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 76940068
3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78832927
methyl 3-[methyl-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]propanoate
CID 54997523
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770928
methyl 2-methyl-3-[methyl-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]propanoate
CID 55008032
(E)-N-[3-[(dimethylamino)methyl]phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 86932070
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea
CID 86855084
ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine
CID 91227633
(Z)-N-[(4-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 97435239
(E)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 41438329
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 115177328

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 78836517) is N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide is Cc1nc(C=CC(=O)N(C)Cc2cccnc2)cs1.
What is the InChIKey of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is LQWWRIWGFLJDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-11-16-13(10-19-11)5-6-14(18)17(2)9-12-4-3-7-15-8-12/h3-8,10H,9H2,1-2H3.
What are the key properties of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 273.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 78836517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).