N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide

C17H29N3O2S — CID 111750446

IUPACN-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)N(c1nccs1)C1CCCCC1)N(C)CC(C)(C)O
InChIInChI=1S/C17H29N3O2S/c1-13(19(4)12-17(2,3)22)15(21)20(16-18-10-11-23-16)14-8-6-5-7-9-14/h10-11,13-14,22H,5-9,12H2,1-4H3
InChIKeyDDFOHUBKJBSCGM-UHFFFAOYSA-N
MW339.50 g/mol
LogP2.90
Rot. Bonds6

About N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide

N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 111750446) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID111750446
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC NameN-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)N(c1nccs1)C1CCCCC1)N(C)CC(C)(C)O
InChIInChI=1S/C17H29N3O2S/c1-13(19(4)12-17(2,3)22)15(21)20(16-18-10-11-23-16)14-8-6-5-7-9-14/h10-11,13-14,22H,5-9,12H2,1-4H3
InChIKeyDDFOHUBKJBSCGM-UHFFFAOYSA-N
XLogP2.90
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide (CID 111750446) is N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)N(c1nccs1)C1CCCCC1)N(C)CC(C)(C)O.
What is the InChIKey of N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is DDFOHUBKJBSCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-13(19(4)12-17(2,3)22)15(21)20(16-18-10-11-23-16)14-8-6-5-7-9-14/h10-11,13-14,22H,5-9,12H2,1-4H3.
What are the key properties of N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide?
N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 339.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 111750446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).