2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide

C16H19N3OS — CID 5100026

IUPAC2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESC=CCNc1nc(-c2cccc(NC(=O)C(C)C)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-4-8-17-16-19-14(10-21-16)12-6-5-7-13(9-12)18-15(20)11(2)3/h4-7,9-11H,1,8H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyKBKDHSXVFBEUHG-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.00
Rot. Bonds6

About 2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide

2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 5100026) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID5100026
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESC=CCNc1nc(-c2cccc(NC(=O)C(C)C)c2)cs1
InChIInChI=1S/C16H19N3OS/c1-4-8-17-16-19-14(10-21-16)12-6-5-7-13(9-12)18-15(20)11(2)3/h4-7,9-11H,1,8H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyKBKDHSXVFBEUHG-UHFFFAOYSA-N
XLogP4.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7261173
4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3526553
N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 3443963
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxyacetamide
CID 810478
2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864738
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
2-amino-3,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 76887854
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
CID 54831655
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 21358360

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide (CID 5100026) is 2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide is C=CCNc1nc(-c2cccc(NC(=O)C(C)C)c2)cs1.
What is the InChIKey of 2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is KBKDHSXVFBEUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-4-8-17-16-19-14(10-21-16)12-6-5-7-13(9-12)18-15(20)11(2)3/h4-7,9-11H,1,8H2,2-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide?
2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 301.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 5100026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).