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

C18H30N4O3S — CID 122193418

IUPAC2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1
InChIInChI=1S/C18H30N4O3S/c1-5-11(4)15(19)17(24)21-12-6-7-25-14(8-12)18-22-13(9-26-18)16(23)20-10(2)3/h9-12,14-15H,5-8,19H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,14+,15-/m0/s1
InChIKeyCBPQZJIINIZBEM-VIRABCJISA-N
MW382.53 g/mol
LogP1.99
Rot. Bonds7

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

2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 122193418) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID122193418
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1
InChIInChI=1S/C18H30N4O3S/c1-5-11(4)15(19)17(24)21-12-6-7-25-14(8-12)18-22-13(9-26-18)16(23)20-10(2)3/h9-12,14-15H,5-8,19H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,14+,15-/m0/s1
InChIKeyCBPQZJIINIZBEM-VIRABCJISA-N
XLogP1.99
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 122193418) is 2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1.
What is the InChIKey of 2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CBPQZJIINIZBEM-VIRABCJISA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-5-11(4)15(19)17(24)21-12-6-7-25-14(8-12)18-22-13(9-26-18)16(23)20-10(2)3/h9-12,14-15H,5-8,19H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,14+,15-/m0/s1.
What are the key properties of 2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122193418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).