2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide

C11H20N4OS — CID 90054495

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(N)sc1C(=O)NCCN(C)C
InChIInChI=1S/C11H20N4OS/c1-4-5-8-9(17-11(12)14-8)10(16)13-6-7-15(2)3/h4-7H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyBFWJDOSXMFEJIY-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.97
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide

2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide (PubChem CID 90054495) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide
PubChem CID90054495
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(N)sc1C(=O)NCCN(C)C
InChIInChI=1S/C11H20N4OS/c1-4-5-8-9(17-11(12)14-8)10(16)13-6-7-15(2)3/h4-7H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyBFWJDOSXMFEJIY-UHFFFAOYSA-N
XLogP0.97
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide (CID 90054495) is 2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(N)sc1C(=O)NCCN(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is BFWJDOSXMFEJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-5-8-9(17-11(12)14-8)10(16)13-6-7-15(2)3/h4-7H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide?
2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90054495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).