(4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C22H22N2O2S — CID 97211446

IUPAC(4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H22N2O2S/c25-21(23-11-14-5-6-14)20-12-27-13-24(20)22(26)16-7-8-19-17(10-16)9-15-3-1-2-4-18(15)19/h1-4,7-8,10,14,20H,5-6,9,11-13H2,(H,23,25)/t20-/m0/s1
InChIKeyUTCSEMILKHCSQC-FQEVSTJZSA-N
MW378.50 g/mol
LogP3.30
Rot. Bonds4

About (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 97211446) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID97211446
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name(4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H22N2O2S/c25-21(23-11-14-5-6-14)20-12-27-13-24(20)22(26)16-7-8-19-17(10-16)9-15-3-1-2-4-18(15)19/h1-4,7-8,10,14,20H,5-6,9,11-13H2,(H,23,25)/t20-/m0/s1
InChIKeyUTCSEMILKHCSQC-FQEVSTJZSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(4S)-N-(cyclopropylmethyl)-3-(3-methyl-4-nitrobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95271806
N-(cyclopropylmethyl)-3-(1H-indole-7-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 71926349
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
N-(cyclopropylmethyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 60608947
methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 95297675
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
CID 51331976
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
CID 94834398
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 97211446) is (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UTCSEMILKHCSQC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2O2S/c25-21(23-11-14-5-6-14)20-12-27-13-24(20)22(26)16-7-8-19-17(10-16)9-15-3-1-2-4-18(15)19/h1-4,7-8,10,14,20H,5-6,9,11-13H2,(H,23,25)/t20-/m0/s1.
What are the key properties of (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(cyclopropylmethyl)-3-(9H-fluorene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97211446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).