(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone

C15H17N5OS — CID 127245007

IUPAC(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(c3csc4nccn34)CC2)n1
InChIInChI=1S/C15H17N5OS/c1-18-6-4-12(17-18)14(21)19-7-2-11(3-8-19)13-10-22-15-16-5-9-20(13)15/h4-6,9-11H,2-3,7-8H2,1H3
InChIKeyCUTYPKGZVQWKPP-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.15
Rot. Bonds2

About (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone

(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 127245007) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone
PubChem CID127245007
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCC(c3csc4nccn34)CC2)n1
InChIInChI=1S/C15H17N5OS/c1-18-6-4-12(17-18)14(21)19-7-2-11(3-8-19)13-10-22-15-16-5-9-20(13)15/h4-6,9-11H,2-3,7-8H2,1H3
InChIKeyCUTYPKGZVQWKPP-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone
CID 124988703
(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1,3-oxazol-5-yl)methanone
CID 125014377
(1-methylpyrazol-3-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
CID 110091261
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824432
(1-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95824418
(1-methylpyrazol-3-yl)-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824434
(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841745
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95845578
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559

Frequently Asked Questions

What is the IUPAC name of (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone (CID 127245007) is (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCC(c3csc4nccn34)CC2)n1.
What is the InChIKey of (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is CUTYPKGZVQWKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-18-6-4-12(17-18)14(21)19-7-2-11(3-8-19)13-10-22-15-16-5-9-20(13)15/h4-6,9-11H,2-3,7-8H2,1H3.
What are the key properties of (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone has a molecular weight of 315.40 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 127245007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).