3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one

C16H17N3O2S — CID 164641689

IUPAC3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one
SMILESC[C@@H](CCc1ccco1)Nc1nc(-c2ccc[nH]c2=O)cs1
InChIInChI=1S/C16H17N3O2S/c1-11(6-7-12-4-3-9-21-12)18-16-19-14(10-22-16)13-5-2-8-17-15(13)20/h2-5,8-11H,6-7H2,1H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyWBGSLZMYGLWZKZ-NSHDSACASA-N
MW315.40 g/mol
LogP3.52
Rot. Bonds6

About 3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one

3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one (PubChem CID 164641689) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one
PubChem CID164641689
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one
SMILESC[C@@H](CCc1ccco1)Nc1nc(-c2ccc[nH]c2=O)cs1
InChIInChI=1S/C16H17N3O2S/c1-11(6-7-12-4-3-9-21-12)18-16-19-14(10-22-16)13-5-2-8-17-15(13)20/h2-5,8-11H,6-7H2,1H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyWBGSLZMYGLWZKZ-NSHDSACASA-N
XLogP3.52
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one (CID 164641689) is 3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one is C[C@@H](CCc1ccco1)Nc1nc(-c2ccc[nH]c2=O)cs1.
What is the InChIKey of 3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one?
The InChIKey is WBGSLZMYGLWZKZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11(6-7-12-4-3-9-21-12)18-16-19-14(10-22-16)13-5-2-8-17-15(13)20/h2-5,8-11H,6-7H2,1H3,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of 3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one?
3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one has a molecular weight of 315.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-1,3-thiazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 164641689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).