2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide

C14H18N4O3S — CID 39038795

About 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 39038795) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 39038795
• Molecular Formula: C14H18N4O3S
• Molecular Weight: 322.39 g/mol
• Exact Mass: 322.11
• IUPAC Name: 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
• SMILES: CC(=O)Nc1nc(C(=O)NC[C@H](c2ccco2)N(C)C)cs1
• InChI: InChI=1S/C14H18N4O3S/c1-9(19)16-14-17-10(8-22-14)13(20)15-7-11(18(2)3)12-5-4-6-21-12/h4-6,8,11H,7H2,1-3H3,(H,15,20)(H,16,17,19)/t11-/m1/s1
• InChIKey: BRZWRHBTNBYWEN-LLVKDONJSA-N
• XLogP: 1.73
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.39
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 39038795) is 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NC[C@H](c2ccco2)N(C)C)cs1.

What is the InChIKey of 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide?

The InChIKey is BRZWRHBTNBYWEN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(19)16-14-17-10(8-22-14)13(20)15-7-11(18(2)3)12-5-4-6-21-12/h4-6,8,11H,7H2,1-3H3,(H,15,20)(H,16,17,19)/t11-/m1/s1.

What are the key properties of 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide?

2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39038795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).