N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide

C18H22N4O2S — CID 11696157

IUPACN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide
SMILESO=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H22N4O2S/c23-17(14-10-20-15-4-2-1-3-13(14)15)21-9-12-7-16(19-8-12)18(24)22-5-6-25-11-22/h1-4,10,12,16,19-20H,5-9,11H2,(H,21,23)/t12-,16-/m0/s1
InChIKeyMGWMUXXYFXYMSX-LRDDRELGSA-N
MW358.47 g/mol
LogP1.41
Rot. Bonds4

About N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide

N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide (PubChem CID 11696157) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide
PubChem CID11696157
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide
SMILESO=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H22N4O2S/c23-17(14-10-20-15-4-2-1-3-13(14)15)21-9-12-7-16(19-8-12)18(24)22-5-6-25-11-22/h1-4,10,12,16,19-20H,5-9,11H2,(H,21,23)/t12-,16-/m0/s1
InChIKeyMGWMUXXYFXYMSX-LRDDRELGSA-N
XLogP1.41
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241009
N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 59681850
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11659739
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 11716843
phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 69240790
4-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242489
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 69242843
4-(phenoxymethyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11604276
(2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide
CID 69241471
1-(2-methoxyphenyl)-3-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]urea
CID 69240965
3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
CID 69240971
3-(4-methoxyphenyl)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
CID 69240975

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide (CID 11696157) is N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide is O=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide?
The InChIKey is MGWMUXXYFXYMSX-LRDDRELGSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-17(14-10-20-15-4-2-1-3-13(14)15)21-9-12-7-16(19-8-12)18(24)22-5-6-25-11-22/h1-4,10,12,16,19-20H,5-9,11H2,(H,21,23)/t12-,16-/m0/s1.
What are the key properties of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide?
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 11696157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).