3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide

C16H24N4O2S — CID 164640262

IUPAC3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide
SMILESNc1ncc(CCC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)s1
InChIInChI=1S/C16H24N4O2S/c17-16-18-10-12(23-16)6-7-14(21)19-13-8-9-20(15(13)22)11-4-2-1-3-5-11/h10-11,13H,1-9H2,(H2,17,18)(H,19,21)/t13-/m0/s1
InChIKeyVTDCDACGXUKACV-ZDUSSCGKSA-N
MW336.46 g/mol
LogP1.71
Rot. Bonds5

About 3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide

3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide (PubChem CID 164640262) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide
PubChem CID164640262
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide
SMILESNc1ncc(CCC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)s1
InChIInChI=1S/C16H24N4O2S/c17-16-18-10-12(23-16)6-7-14(21)19-13-8-9-20(15(13)22)11-4-2-1-3-5-11/h10-11,13H,1-9H2,(H2,17,18)(H,19,21)/t13-/m0/s1
InChIKeyVTDCDACGXUKACV-ZDUSSCGKSA-N
XLogP1.71
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide (CID 164640262) is 3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide is Nc1ncc(CCC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)s1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide?
The InChIKey is VTDCDACGXUKACV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2S/c17-16-18-10-12(23-16)6-7-14(21)19-13-8-9-20(15(13)22)11-4-2-1-3-5-11/h10-11,13H,1-9H2,(H2,17,18)(H,19,21)/t13-/m0/s1.
What are the key properties of 3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide?
3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide has a molecular weight of 336.46 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 164640262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).