(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C21H30N4O2S — CID 124742587

IUPAC(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCN(C)C[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H30N4O2S/c1-4-5-10-24(3)12-15(2)23-20(26)19-13-28-14-25(19)21(27)17-11-22-18-9-7-6-8-16(17)18/h6-9,11,15,19,22H,4-5,10,12-14H2,1-3H3,(H,23,26)/t15-,19+/m1/s1
InChIKeyYDHFYGCTNRIZIG-BEFAXECRSA-N
MW402.56 g/mol
LogP2.92
Rot. Bonds8

About (4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 124742587) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is (4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID124742587
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCN(C)C[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H30N4O2S/c1-4-5-10-24(3)12-15(2)23-20(26)19-13-28-14-25(19)21(27)17-11-22-18-9-7-6-8-16(17)18/h6-9,11,15,19,22H,4-5,10,12-14H2,1-3H3,(H,23,26)/t15-,19+/m1/s1
InChIKeyYDHFYGCTNRIZIG-BEFAXECRSA-N
XLogP2.92
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237232
4-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]-methylamino]butanoic acid
CID 119173088
(4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95378663
[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-[(4R)-3-(1H-indole-3-carbonyl)-1,3-thiazolidin-4-yl]methanone
CID 95781331
(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 94666381
(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 97232814
(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 52504300
(4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 97215376
(4R)-3-benzoyl-N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 95581574
3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 47080821
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
N-[(2S)-4-(dimethylamino)butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 66664820

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 124742587) is (4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide is CCCCN(C)C[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is YDHFYGCTNRIZIG-BEFAXECRSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-4-5-10-24(3)12-15(2)23-20(26)19-13-28-14-25(19)21(27)17-11-22-18-9-7-6-8-16(17)18/h6-9,11,15,19,22H,4-5,10,12-14H2,1-3H3,(H,23,26)/t15-,19+/m1/s1.
What are the key properties of (4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124742587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).