2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide

C17H29N3O4S — CID 91380505

IUPAC2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide
SMILESCCCC(NC(=O)C(O)C(C)(C)C)C(=O)Nc1ncc(C(C)(C)O)s1
InChIInChI=1S/C17H29N3O4S/c1-7-8-10(19-14(23)12(21)16(2,3)4)13(22)20-15-18-9-11(25-15)17(5,6)24/h9-10,12,21,24H,7-8H2,1-6H3,(H,19,23)(H,18,20,22)
InChIKeyFUIQEFAUOQZFBZ-UHFFFAOYSA-N
MW371.50 g/mol
LogP2.00
Rot. Bonds7

About 2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide

2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide (PubChem CID 91380505) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide
PubChem CID91380505
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Name2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide
SMILESCCCC(NC(=O)C(O)C(C)(C)C)C(=O)Nc1ncc(C(C)(C)O)s1
InChIInChI=1S/C17H29N3O4S/c1-7-8-10(19-14(23)12(21)16(2,3)4)13(22)20-15-18-9-11(25-15)17(5,6)24/h9-10,12,21,24H,7-8H2,1-6H3,(H,19,23)(H,18,20,22)
InChIKeyFUIQEFAUOQZFBZ-UHFFFAOYSA-N
XLogP2.00
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of 2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide (CID 91380505) is 2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide is CCCC(NC(=O)C(O)C(C)(C)C)C(=O)Nc1ncc(C(C)(C)O)s1.
What is the InChIKey of 2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is FUIQEFAUOQZFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-7-8-10(19-14(23)12(21)16(2,3)4)13(22)20-15-18-9-11(25-15)17(5,6)24/h9-10,12,21,24H,7-8H2,1-6H3,(H,19,23)(H,18,20,22).
What are the key properties of 2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide?
2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 371.50 g/mol, XLogP of 2.00, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 91380505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).