N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide

C21H18N4O2S — CID 44623259

IUPACN-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
SMILESCc1nc2ccccn2c1-c1csc(C2(c3cccc(C(=O)NO)c3)CC2)n1
InChIInChI=1S/C21H18N4O2S/c1-13-18(25-10-3-2-7-17(25)22-13)16-12-28-20(23-16)21(8-9-21)15-6-4-5-14(11-15)19(26)24-27/h2-7,10-12,27H,8-9H2,1H3,(H,24,26)
InChIKeyNKDOAXVJZMNOFS-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.97
Rot. Bonds4

About N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide

N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide (PubChem CID 44623259) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
PubChem CID44623259
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
SMILESCc1nc2ccccn2c1-c1csc(C2(c3cccc(C(=O)NO)c3)CC2)n1
InChIInChI=1S/C21H18N4O2S/c1-13-18(25-10-3-2-7-17(25)22-13)16-12-28-20(23-16)21(8-9-21)15-6-4-5-14(11-15)19(26)24-27/h2-7,10-12,27H,8-9H2,1H3,(H,24,26)
InChIKeyNKDOAXVJZMNOFS-UHFFFAOYSA-N
XLogP3.97
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
The IUPAC name of N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide (CID 44623259) is N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide.
What is the SMILES notation for N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
The canonical SMILES for N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide is Cc1nc2ccccn2c1-c1csc(C2(c3cccc(C(=O)NO)c3)CC2)n1.
What is the InChIKey of N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
The InChIKey is NKDOAXVJZMNOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-18(25-10-3-2-7-17(25)22-13)16-12-28-20(23-16)21(8-9-21)15-6-4-5-14(11-15)19(26)24-27/h2-7,10-12,27H,8-9H2,1H3,(H,24,26).
What are the key properties of N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide has a molecular weight of 390.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide is sourced from PubChem (CID 44623259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).