(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C11H15N3OS — CID 114409280

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C11H15N3OS/c1-7-3-5-14(6-4-7)10(15)9-8(2)13-11(12)16-9/h3H,4-6H2,1-2H3,(H2,12,13)
InChIKeyMDAPADBNVFMBJK-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.83
Rot. Bonds1

About (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114409280) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114409280
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCN(C(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C11H15N3OS/c1-7-3-5-14(6-4-7)10(15)9-8(2)13-11(12)16-9/h3H,4-6H2,1-2H3,(H2,12,13)
InChIKeyMDAPADBNVFMBJK-UHFFFAOYSA-N
XLogP1.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114409280) is (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCN(C(=O)c2sc(N)nc2C)CC1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is MDAPADBNVFMBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-3-5-14(6-4-7)10(15)9-8(2)13-11(12)16-9/h3H,4-6H2,1-2H3,(H2,12,13).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 237.33 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114409280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).