N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide

C17H29N3O2S — CID 91500218

IUPACN-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
SMILESCC(C)c1nc(CN(C)C(=O)CCCCN2CCOCC2)cs1
InChIInChI=1S/C17H29N3O2S/c1-14(2)17-18-15(13-23-17)12-19(3)16(21)6-4-5-7-20-8-10-22-11-9-20/h13-14H,4-12H2,1-3H3
InChIKeyDTHWQKKOVYVJMO-UHFFFAOYSA-N
MW339.51 g/mol
LogP2.73
Rot. Bonds8

About N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide

N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide (PubChem CID 91500218) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
PubChem CID91500218
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC NameN-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
SMILESCC(C)c1nc(CN(C)C(=O)CCCCN2CCOCC2)cs1
InChIInChI=1S/C17H29N3O2S/c1-14(2)17-18-15(13-23-17)12-19(3)16(21)6-4-5-7-20-8-10-22-11-9-20/h13-14H,4-12H2,1-3H3
InChIKeyDTHWQKKOVYVJMO-UHFFFAOYSA-N
XLogP2.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The IUPAC name of N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide (CID 91500218) is N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide.
What is the SMILES notation for N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The canonical SMILES for N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide is CC(C)c1nc(CN(C)C(=O)CCCCN2CCOCC2)cs1.
What is the InChIKey of N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The InChIKey is DTHWQKKOVYVJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-14(2)17-18-15(13-23-17)12-19(3)16(21)6-4-5-7-20-8-10-22-11-9-20/h13-14H,4-12H2,1-3H3.
What are the key properties of N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide has a molecular weight of 339.51 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-morpholin-4-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 91500218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).