N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide

C17H27N5O2S — CID 72906110

IUPACN-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCCN1C[C@H](NC(=O)C2=CSC3=NCCN23)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C17H27N5O2S/c1-4-6-21-9-12(8-13(21)15(23)19-11(2)3)20-16(24)14-10-25-17-18-5-7-22(14)17/h10-13H,4-9H2,1-3H3,(H,19,23)(H,20,24)/t12-,13+/m1/s1
InChIKeyVFEZRCHFHAEDDW-OLZOCXBDSA-N
MW365.50 g/mol
LogP0.74
Rot. Bonds6

About N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 72906110) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID72906110
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC NameN-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCCN1C[C@H](NC(=O)C2=CSC3=NCCN23)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C17H27N5O2S/c1-4-6-21-9-12(8-13(21)15(23)19-11(2)3)20-16(24)14-10-25-17-18-5-7-22(14)17/h10-13H,4-9H2,1-3H3,(H,19,23)(H,20,24)/t12-,13+/m1/s1
InChIKeyVFEZRCHFHAEDDW-OLZOCXBDSA-N
XLogP0.74
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 72906110) is N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide is CCCN1C[C@H](NC(=O)C2=CSC3=NCCN23)C[C@H]1C(=O)NC(C)C.
What is the InChIKey of N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is VFEZRCHFHAEDDW-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-4-6-21-9-12(8-13(21)15(23)19-11(2)3)20-16(24)14-10-25-17-18-5-7-22(14)17/h10-13H,4-9H2,1-3H3,(H,19,23)(H,20,24)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-propylpyrrolidin-3-yl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 72906110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).