5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide

C15H17N3OS2 — CID 90909060

IUPAC5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide
SMILESC=CC1=C(C=CC)SN(C)C(C(=O)Nc2ncc(C)s2)=C1
InChIInChI=1S/C15H17N3OS2/c1-5-7-13-11(6-2)8-12(18(4)21-13)14(19)17-15-16-9-10(3)20-15/h5-9H,2H2,1,3-4H3,(H,16,17,19)
InChIKeyDHPVIGDGLVTJRH-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.88
Rot. Bonds4

About 5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide

5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide (PubChem CID 90909060) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide.

Molecular Properties

Compound Name5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide
PubChem CID90909060
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide
SMILESC=CC1=C(C=CC)SN(C)C(C(=O)Nc2ncc(C)s2)=C1
InChIInChI=1S/C15H17N3OS2/c1-5-7-13-11(6-2)8-12(18(4)21-13)14(19)17-15-16-9-10(3)20-15/h5-9H,2H2,1,3-4H3,(H,16,17,19)
InChIKeyDHPVIGDGLVTJRH-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 136666419
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N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide
CID 22398999
5-Bromo-1-methyl-3-(5-methylthiazol-2-ylamino)pyridin-2(1H)-one
CID 86683953
N-(5-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylidenecyclohexa-1,5-diene-1-carboxamide
CID 87952258
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1lambda6,2-benzothiazine-3-carboxamide
CID 89109470
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-thia-3-azabicyclo[4.4.1]undeca-1(11),4,6(11),7,9-pentaene-4-carboxamide
CID 91142792
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide
CID 129274241
3-Amino-5-chloro-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 137449781
3-Amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 137450282
1-(5-Methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457266
N-(5-methyl-1,3-thiazol-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292946

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide?
The IUPAC name of 5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide (CID 90909060) is 5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide.
What is the SMILES notation for 5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide?
The canonical SMILES for 5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide is C=CC1=C(C=CC)SN(C)C(C(=O)Nc2ncc(C)s2)=C1.
What is the InChIKey of 5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide?
The InChIKey is DHPVIGDGLVTJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-5-7-13-11(6-2)8-12(18(4)21-13)14(19)17-15-16-9-10(3)20-15/h5-9H,2H2,1,3-4H3,(H,16,17,19).
What are the key properties of 5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide?
5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide has a molecular weight of 319.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide is sourced from PubChem (CID 90909060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).