2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide

C15H28N4O3S — CID 118372186

IUPAC2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCNC(=O)[C@@H]([C@H](O)[C@H](C)CC1=NC(C(=O)N(C)C)CS1)N(C)C
InChIInChI=1S/C15H28N4O3S/c1-9(13(20)12(18(3)4)14(21)16-2)7-11-17-10(8-23-11)15(22)19(5)6/h9-10,12-13,20H,7-8H2,1-6H3,(H,16,21)/t9-,10?,12-,13-/m1/s1
InChIKeyPWYCOYHAXGMDJI-NJGBWHNRSA-N
MW344.48 g/mol
LogP-0.35
Rot. Bonds7

About 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide

2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 118372186) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID118372186
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCNC(=O)[C@@H]([C@H](O)[C@H](C)CC1=NC(C(=O)N(C)C)CS1)N(C)C
InChIInChI=1S/C15H28N4O3S/c1-9(13(20)12(18(3)4)14(21)16-2)7-11-17-10(8-23-11)15(22)19(5)6/h9-10,12-13,20H,7-8H2,1-6H3,(H,16,21)/t9-,10?,12-,13-/m1/s1
InChIKeyPWYCOYHAXGMDJI-NJGBWHNRSA-N
XLogP-0.35
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 118372186) is 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide is CNC(=O)[C@@H]([C@H](O)[C@H](C)CC1=NC(C(=O)N(C)C)CS1)N(C)C.
What is the InChIKey of 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is PWYCOYHAXGMDJI-NJGBWHNRSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-9(13(20)12(18(3)4)14(21)16-2)7-11-17-10(8-23-11)15(22)19(5)6/h9-10,12-13,20H,7-8H2,1-6H3,(H,16,21)/t9-,10?,12-,13-/m1/s1.
What are the key properties of 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 344.48 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R)-4-(dimethylamino)-3-hydroxy-2-methyl-5-(methylamino)-5-oxopentyl]-N,N-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118372186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).