[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone

C15H17N5OS — CID 70727112

IUPAC[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
SMILESCc1cc(C)n(C2CCN(C(=O)c3cn4ccsc4n3)C2)n1
InChIInChI=1S/C15H17N5OS/c1-10-7-11(2)20(17-10)12-3-4-18(8-12)14(21)13-9-19-5-6-22-15(19)16-13/h5-7,9,12H,3-4,8H2,1-2H3
InChIKeyVLIQPEWMKZHKAP-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.30
Rot. Bonds2

About [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone

[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone (PubChem CID 70727112) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
PubChem CID70727112
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
SMILESCc1cc(C)n(C2CCN(C(=O)c3cn4ccsc4n3)C2)n1
InChIInChI=1S/C15H17N5OS/c1-10-7-11(2)20(17-10)12-3-4-18(8-12)14(21)13-9-19-5-6-22-15(19)16-13/h5-7,9,12H,3-4,8H2,1-2H3
InChIKeyVLIQPEWMKZHKAP-UHFFFAOYSA-N
XLogP2.30
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone (CID 70727112) is [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone is Cc1cc(C)n(C2CCN(C(=O)c3cn4ccsc4n3)C2)n1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The InChIKey is VLIQPEWMKZHKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-10-7-11(2)20(17-10)12-3-4-18(8-12)14(21)13-9-19-5-6-22-15(19)16-13/h5-7,9,12H,3-4,8H2,1-2H3.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone has a molecular weight of 315.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone is sourced from PubChem (CID 70727112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).