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

C20H34N4O3S — CID 122193420

IUPAC2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)[C@@H](C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1)N(C)C
InChIInChI=1S/C20H34N4O3S/c1-7-13(4)17(24(5)6)19(26)22-14-8-9-27-16(10-14)20-23-15(11-28-20)18(25)21-12(2)3/h11-14,16-17H,7-10H2,1-6H3,(H,21,25)(H,22,26)/t13-,14-,16+,17-/m0/s1
InChIKeyIGAUSBJRGBDGDA-DIECFANBSA-N
MW410.58 g/mol
LogP2.59
Rot. Bonds8

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

2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 122193420) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-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-(dimethylamino)-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID122193420
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC Name2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)[C@@H](C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1)N(C)C
InChIInChI=1S/C20H34N4O3S/c1-7-13(4)17(24(5)6)19(26)22-14-8-9-27-16(10-14)20-23-15(11-28-20)18(25)21-12(2)3/h11-14,16-17H,7-10H2,1-6H3,(H,21,25)(H,22,26)/t13-,14-,16+,17-/m0/s1
InChIKeyIGAUSBJRGBDGDA-DIECFANBSA-N
XLogP2.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-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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Balgacyclamide B
CID 76314390
Balgacyclamide A
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Bistratamide E
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-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-(dimethylamino)-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 122193420) is 2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC[C@H](C)[C@@H](C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1)N(C)C.
What is the InChIKey of 2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is IGAUSBJRGBDGDA-DIECFANBSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-7-13(4)17(24(5)6)19(26)22-14-8-9-27-16(10-14)20-23-15(11-28-20)18(25)21-12(2)3/h11-14,16-17H,7-10H2,1-6H3,(H,21,25)(H,22,26)/t13-,14-,16+,17-/m0/s1.
What are the key properties of 2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-4-[[(2S,3S)-2-(dimethylamino)-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122193420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).