N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide

C13H16N4OS2 — CID 2292227

IUPACN-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide
SMILESC=CCNc1nc(-c2sc(NC(=O)CC)nc2C)cs1
InChIInChI=1S/C13H16N4OS2/c1-4-6-14-12-16-9(7-19-12)11-8(3)15-13(20-11)17-10(18)5-2/h4,7H,1,5-6H2,2-3H3,(H,14,16)(H,15,17,18)
InChIKeyKKIRFKFYYRXZIV-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.52
Rot. Bonds6

About N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide

N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide (PubChem CID 2292227) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide
PubChem CID2292227
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide
SMILESC=CCNc1nc(-c2sc(NC(=O)CC)nc2C)cs1
InChIInChI=1S/C13H16N4OS2/c1-4-6-14-12-16-9(7-19-12)11-8(3)15-13(20-11)17-10(18)5-2/h4,7H,1,5-6H2,2-3H3,(H,14,16)(H,15,17,18)
InChIKeyKKIRFKFYYRXZIV-UHFFFAOYSA-N
XLogP3.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide (CID 2292227) is N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide is C=CCNc1nc(-c2sc(NC(=O)CC)nc2C)cs1.
What is the InChIKey of N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is KKIRFKFYYRXZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-4-6-14-12-16-9(7-19-12)11-8(3)15-13(20-11)17-10(18)5-2/h4,7H,1,5-6H2,2-3H3,(H,14,16)(H,15,17,18).
What are the key properties of N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 308.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2292227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).