N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide

C22H25N3O2S — CID 59432549

IUPACN-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3scnc3C(C)C)c2)nc1
InChIInChI=1S/C22H25N3O2S/c1-13(2)20-21(28-12-24-20)17-7-16(19-6-5-14(3)10-23-19)8-18(9-17)22(27)25-15(4)11-26/h5-10,12-13,15,26H,11H2,1-4H3,(H,25,27)/t15-/m0/s1
InChIKeyVISIRZUUPBTLFX-HNNXBMFYSA-N
MW395.53 g/mol
LogP4.41
Rot. Bonds6

About N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide

N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide (PubChem CID 59432549) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
PubChem CID59432549
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3scnc3C(C)C)c2)nc1
InChIInChI=1S/C22H25N3O2S/c1-13(2)20-21(28-12-24-20)17-7-16(19-6-5-14(3)10-23-19)8-18(9-17)22(27)25-15(4)11-26/h5-10,12-13,15,26H,11H2,1-4H3,(H,25,27)/t15-/m0/s1
InChIKeyVISIRZUUPBTLFX-HNNXBMFYSA-N
XLogP4.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide (CID 59432549) is N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3scnc3C(C)C)c2)nc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide?
The InChIKey is VISIRZUUPBTLFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-13(2)20-21(28-12-24-20)17-7-16(19-6-5-14(3)10-23-19)8-18(9-17)22(27)25-15(4)11-26/h5-10,12-13,15,26H,11H2,1-4H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide?
N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide has a molecular weight of 395.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 59432549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).