N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide

C18H23N3O2S — CID 47052540

IUPACN-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide
SMILESCc1nc(CNC(C)c2ccc(OCC(=O)NC3CC3)cc2)cs1
InChIInChI=1S/C18H23N3O2S/c1-12(19-9-16-11-24-13(2)20-16)14-3-7-17(8-4-14)23-10-18(22)21-15-5-6-15/h3-4,7-8,11-12,15,19H,5-6,9-10H2,1-2H3,(H,21,22)
InChIKeyHVHDAMNXTJPFSX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.96
Rot. Bonds8

About N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide

N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide (PubChem CID 47052540) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide
PubChem CID47052540
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide
SMILESCc1nc(CNC(C)c2ccc(OCC(=O)NC3CC3)cc2)cs1
InChIInChI=1S/C18H23N3O2S/c1-12(19-9-16-11-24-13(2)20-16)14-3-7-17(8-4-14)23-10-18(22)21-15-5-6-15/h3-4,7-8,11-12,15,19H,5-6,9-10H2,1-2H3,(H,21,22)
InChIKeyHVHDAMNXTJPFSX-UHFFFAOYSA-N
XLogP2.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide (CID 47052540) is N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide is Cc1nc(CNC(C)c2ccc(OCC(=O)NC3CC3)cc2)cs1.
What is the InChIKey of N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide?
The InChIKey is HVHDAMNXTJPFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(19-9-16-11-24-13(2)20-16)14-3-7-17(8-4-14)23-10-18(22)21-15-5-6-15/h3-4,7-8,11-12,15,19H,5-6,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide?
N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenoxy]acetamide is sourced from PubChem (CID 47052540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).