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

C16H22N4O2S — CID 129476648

IUPACN-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)cs1
InChIInChI=1S/C16H22N4O2S/c1-10(2)16-19-12(8-23-16)15(21)18-11-4-5-22-14(6-11)13-7-17-9-20(13)3/h7-11,14H,4-6H2,1-3H3,(H,18,21)/t11-,14-/m0/s1
InChIKeyCHKLIPRQFWIDBS-FZMZJTMJSA-N
MW334.45 g/mol
LogP2.65
Rot. Bonds4

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

N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 129476648) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID129476648
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)cs1
InChIInChI=1S/C16H22N4O2S/c1-10(2)16-19-12(8-23-16)15(21)18-11-4-5-22-14(6-11)13-7-17-9-20(13)3/h7-11,14H,4-6H2,1-3H3,(H,18,21)/t11-,14-/m0/s1
InChIKeyCHKLIPRQFWIDBS-FZMZJTMJSA-N
XLogP2.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 129346409
4-(dimethylamino)-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-2-carboxamide
CID 129475939
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
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
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
CID 129328904
3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide
CID 129329403
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184
2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436
2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
CID 129492339
(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide
CID 128994960
1-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(thiophen-3-ylmethyl)urea
CID 129472543

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 129476648) is N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)cs1.
What is the InChIKey of N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CHKLIPRQFWIDBS-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-10(2)16-19-12(8-23-16)15(21)18-11-4-5-22-14(6-11)13-7-17-9-20(13)3/h7-11,14H,4-6H2,1-3H3,(H,18,21)/t11-,14-/m0/s1.
What are the key properties of N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 129476648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).