[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C15H24N4OS — CID 114461648

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCN(C)c1nc(N)c(C(=O)N2CC=C(C(C)(C)C)CC2)s1
InChIInChI=1S/C15H24N4OS/c1-15(2,3)10-6-8-19(9-7-10)13(20)11-12(16)17-14(21-11)18(4)5/h6H,7-9,16H2,1-5H3
InChIKeyPBHZHAXHBJXSLN-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.61
Rot. Bonds2

About [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114461648) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114461648
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCN(C)c1nc(N)c(C(=O)N2CC=C(C(C)(C)C)CC2)s1
InChIInChI=1S/C15H24N4OS/c1-15(2,3)10-6-8-19(9-7-10)13(20)11-12(16)17-14(21-11)18(4)5/h6H,7-9,16H2,1-5H3
InChIKeyPBHZHAXHBJXSLN-UHFFFAOYSA-N
XLogP2.61
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114461648) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CN(C)c1nc(N)c(C(=O)N2CC=C(C(C)(C)C)CC2)s1.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is PBHZHAXHBJXSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-15(2,3)10-6-8-19(9-7-10)13(20)11-12(16)17-14(21-11)18(4)5/h6H,7-9,16H2,1-5H3.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114461648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).