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

C22H37N5O4S — CID 122193422

IUPAC2-[(2R,4S)-4-[[(2S,3S)-2-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)CN(C)C)C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1
InChIInChI=1S/C22H37N5O4S/c1-7-14(4)19(26-18(28)11-27(5)6)21(30)24-15-8-9-31-17(10-15)22-25-16(12-32-22)20(29)23-13(2)3/h12-15,17,19H,7-11H2,1-6H3,(H,23,29)(H,24,30)(H,26,28)/t14-,15-,17+,19-/m0/s1
InChIKeySJNZHPWRHOOMQQ-BVYOLEPJSA-N
MW467.64 g/mol
LogP1.71
Rot. Bonds10

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

2-[(2R,4S)-4-[[(2S,3S)-2-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 122193422) has the molecular formula C22H37N5O4S and a molecular weight of 467.64 g/mol. Its IUPAC name is 2-[(2R,4S)-4-[[(2S,3S)-2-[[2-(dimethylamino)acetyl]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-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID122193422
Molecular FormulaC22H37N5O4S
Molecular Weight467.64 g/mol
Exact Mass467.26
IUPAC Name2-[(2R,4S)-4-[[(2S,3S)-2-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)CN(C)C)C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1
InChIInChI=1S/C22H37N5O4S/c1-7-14(4)19(26-18(28)11-27(5)6)21(30)24-15-8-9-31-17(10-15)22-25-16(12-32-22)20(29)23-13(2)3/h12-15,17,19H,7-11H2,1-6H3,(H,23,29)(H,24,30)(H,26,28)/t14-,15-,17+,19-/m0/s1
InChIKeySJNZHPWRHOOMQQ-BVYOLEPJSA-N
XLogP1.71
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aerucyclamide B
CID 24970831
(4S,7R,8S,11R,18S,22S,25R)-7-Methyl-11,25-bis(1-methylethyl)-4,18-bis((1S)-1-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone
CID 157454
Aerucyclamide A
CID 24970830
Ulongamide F
CID 636676
Balgacyclamide B
CID 76314390
Balgacyclamide A
CID 76317957
Bistratamide E
CID 637220
Bistratamide F
CID 11060498
(4S,7R,8S,11R,18S,21R,22S,25R)-7,21-Dimethyl-11,25-bis(1-methylethyl)-4,18-bis((1S)-1-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone
CID 163527
Microcyclamide MZ568
CID 50941350
methyl 3-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylate
CID 122521724
2-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 50960786

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-4-[[(2S,3S)-2-[[2-(dimethylamino)acetyl]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-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 122193422) is 2-[(2R,4S)-4-[[(2S,3S)-2-[[2-(dimethylamino)acetyl]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-[[2-(dimethylamino)acetyl]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-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC[C@H](C)[C@H](NC(=O)CN(C)C)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-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SJNZHPWRHOOMQQ-BVYOLEPJSA-N. The full InChI is InChI=1S/C22H37N5O4S/c1-7-14(4)19(26-18(28)11-27(5)6)21(30)24-15-8-9-31-17(10-15)22-25-16(12-32-22)20(29)23-13(2)3/h12-15,17,19H,7-11H2,1-6H3,(H,23,29)(H,24,30)(H,26,28)/t14-,15-,17+,19-/m0/s1.
What are the key properties of 2-[(2R,4S)-4-[[(2S,3S)-2-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[(2R,4S)-4-[[(2S,3S)-2-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 1.71, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-4-[[(2S,3S)-2-[[2-(dimethylamino)acetyl]amino]-3-methylpentanoyl]amino]oxan-2-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122193422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).