(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide

C13H17BrN2O3S — CID 97315914

IUPAC(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H17BrN2O3S/c1-3-8(2)15-12(17)9-6-20-7-16(9)13(18)10-4-5-11(14)19-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,17)/t8-,9+/m0/s1
InChIKeyFKSRNCSCSXSEBE-DTWKUNHWSA-N
MW361.26 g/mol
LogP2.47
Rot. Bonds4

About (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 97315914) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID97315914
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H17BrN2O3S/c1-3-8(2)15-12(17)9-6-20-7-16(9)13(18)10-4-5-11(14)19-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,17)/t8-,9+/m0/s1
InChIKeyFKSRNCSCSXSEBE-DTWKUNHWSA-N
XLogP2.47
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
N-butan-2-yl-3-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 60608994
(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide
CID 95145718
N-butan-2-yl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60609283
N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide
CID 60609338
(4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 97215376
3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359457
N-butan-2-yl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60608939
N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120508830
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 97315914) is (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide is CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(Br)o1.
What is the InChIKey of (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FKSRNCSCSXSEBE-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c1-3-8(2)15-12(17)9-6-20-7-16(9)13(18)10-4-5-11(14)19-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,17)/t8-,9+/m0/s1.
What are the key properties of (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 361.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97315914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).