N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide

C16H22N4O2S — CID 129328904

IUPACN-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)s1
InChIInChI=1S/C16H22N4O2S/c1-3-4-15-18-9-14(23-15)16(21)19-11-5-6-22-13(7-11)12-8-17-10-20(12)2/h8-11,13H,3-7H2,1-2H3,(H,19,21)/t11-,13+/m1/s1
InChIKeyCRGWAMGCVVPKPA-YPMHNXCESA-N
MW334.45 g/mol
LogP2.48
Rot. Bonds5

About N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide

N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 129328904) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID129328904
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)s1
InChIInChI=1S/C16H22N4O2S/c1-3-4-15-18-9-14(23-15)16(21)19-11-5-6-22-13(7-11)12-8-17-10-20(12)2/h8-11,13H,3-7H2,1-2H3,(H,19,21)/t11-,13+/m1/s1
InChIKeyCRGWAMGCVVPKPA-YPMHNXCESA-N
XLogP2.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436
2-(dimethylamino)-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pentanamide
CID 154739480
1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 129346409
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129476648
3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide
CID 129329403
4-(dimethylamino)-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-2-carboxamide
CID 129475939
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184
1-[2-(cyclopenten-1-yl)ethyl]-3-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]urea
CID 129476576
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide (CID 129328904) is N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)s1.
What is the InChIKey of N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is CRGWAMGCVVPKPA-YPMHNXCESA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-4-15-18-9-14(23-15)16(21)19-11-5-6-22-13(7-11)12-8-17-10-20(12)2/h8-11,13H,3-7H2,1-2H3,(H,19,21)/t11-,13+/m1/s1.
What are the key properties of N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide?
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 129328904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).