(2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen

C16H32N4O2S — CID 143897962

IUPAC(2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen
SMILESCC.CC(C)(C)c1csc(NCC(=O)N2CCC[C@H]2C(N)=O)n1.[H][H].[H][H]
InChIInChI=1S/C14H22N4O2S.C2H6.2H2/c1-14(2,3)10-8-21-13(17-10)16-7-11(19)18-6-4-5-9(18)12(15)20;1-2;;/h8-9H,4-7H2,1-3H3,(H2,15,20)(H,16,17);1-2H3;2*1H/t9-;;;/m0.../s1
InChIKeyUJCHVNYNCCQORN-DXYFNVQQSA-N
MW344.52 g/mol
LogP2.85
Rot. Bonds4

About (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen

(2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen (PubChem CID 143897962) has the molecular formula C16H32N4O2S and a molecular weight of 344.52 g/mol. Its IUPAC name is (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name(2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen
PubChem CID143897962
Molecular FormulaC16H32N4O2S
Molecular Weight344.52 g/mol
Exact Mass344.22
IUPAC Name(2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen
SMILESCC.CC(C)(C)c1csc(NCC(=O)N2CCC[C@H]2C(N)=O)n1.[H][H].[H][H]
InChIInChI=1S/C14H22N4O2S.C2H6.2H2/c1-14(2,3)10-8-21-13(17-10)16-7-11(19)18-6-4-5-9(18)12(15)20;1-2;;/h8-9H,4-7H2,1-3H3,(H2,15,20)(H,16,17);1-2H3;2*1H/t9-;;;/m0.../s1
InChIKeyUJCHVNYNCCQORN-DXYFNVQQSA-N
XLogP2.85
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen 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

ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 143897546
1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
benzyl (2R)-2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 24739662
(2S)-1-[2-(carbamothioylamino)acetyl]pyrrolidine-2-carboxamide;ethane
CID 143879715
(2S)-1-[2-[4-(trifluoromethyl)anilino]acetyl]pyrrolidine-2-carboxamide
CID 143897244
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
pyridin-3-ylmethyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 91160964
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
(2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 88530997
ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86922889
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen?
The IUPAC name of (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen (CID 143897962) is (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen is CC.CC(C)(C)c1csc(NCC(=O)N2CCC[C@H]2C(N)=O)n1.[H][H].[H][H].
What is the InChIKey of (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen?
The InChIKey is UJCHVNYNCCQORN-DXYFNVQQSA-N. The full InChI is InChI=1S/C14H22N4O2S.C2H6.2H2/c1-14(2,3)10-8-21-13(17-10)16-7-11(19)18-6-4-5-9(18)12(15)20;1-2;;/h8-9H,4-7H2,1-3H3,(H2,15,20)(H,16,17);1-2H3;2*1H/t9-;;;/m0.../s1.
What are the key properties of (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen?
(2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen has a molecular weight of 344.52 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]acetyl]pyrrolidine-2-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 143897962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).