[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C14H23N3OS — CID 86283718

IUPAC[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2C[C@H](C(C)C)[C@@H](N)C2)cs1
InChIInChI=1S/C14H23N3OS/c1-8(2)10-5-17(6-11(10)15)14(18)12-7-19-13(16-12)9(3)4/h7-11H,5-6,15H2,1-4H3/t10-,11+/m1/s1
InChIKeyWCFKBKDZFINXIS-MNOVXSKESA-N
MW281.43 g/mol
LogP2.32
Rot. Bonds3

About [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 86283718) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID86283718
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2C[C@H](C(C)C)[C@@H](N)C2)cs1
InChIInChI=1S/C14H23N3OS/c1-8(2)10-5-17(6-11(10)15)14(18)12-7-19-13(16-12)9(3)4/h7-11H,5-6,15H2,1-4H3/t10-,11+/m1/s1
InChIKeyWCFKBKDZFINXIS-MNOVXSKESA-N
XLogP2.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone 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

Homodolastatin 3
CID 44575197
Mayotamides B
CID 10078274
Mayotamides A
CID 162873238
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377169
2-[(2-Propyl-1,3-thiazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 56751947
N~1~-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N~1~-methyl-D-leucinamide
CID 56870438
1-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-4-azepanamine
CID 56908129
N-{(3S*,4R*)-4-isopropyl-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-3-pyrrolidinyl}acetamide
CID 70786097
2,9-Diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone
CID 128924626
2-(1-amino-2-methylpropyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxamide
CID 137660414
3-[(11S,17S,20S,23S)-11-[(2S)-butan-2-yl]-20-(2-methylpropyl)-2,9,12,18,21-pentaoxo-6,25-dithia-3,10,13,19,22,27,28-heptazatetracyclo[22.2.1.15,8.013,17]octacosa-1(26),5(28),7,24(27)-tetraen-23-yl]propanamide
CID 10652097
(2S,8S,11R,15S,22S)-22-butan-2-yl-15-(2-methylsulfanylethyl)-8-propan-2-yl-13,20,27-trithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),18,21(29)-tetraene-7,10,17,24-tetrone
CID 100916131

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 86283718) is [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1nc(C(=O)N2C[C@H](C(C)C)[C@@H](N)C2)cs1.
What is the InChIKey of [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is WCFKBKDZFINXIS-MNOVXSKESA-N. The full InChI is InChI=1S/C14H23N3OS/c1-8(2)10-5-17(6-11(10)15)14(18)12-7-19-13(16-12)9(3)4/h7-11H,5-6,15H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 281.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 86283718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).