1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C13H17N5OS — CID 91792758

IUPAC1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)c3cnc[nH]3)CC2)cs1
InChIInChI=1S/C13H17N5OS/c1-10-16-11(8-20-10)7-17-2-4-18(5-3-17)13(19)12-6-14-9-15-12/h6,8-9H,2-5,7H2,1H3,(H,14,15)
InChIKeyFTLLIVVRRMQHOE-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.13
Rot. Bonds3

About 1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 91792758) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID91792758
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)c3cnc[nH]3)CC2)cs1
InChIInChI=1S/C13H17N5OS/c1-10-16-11(8-20-10)7-17-2-4-18(5-3-17)13(19)12-6-14-9-15-12/h6,8-9H,2-5,7H2,1H3,(H,14,15)
InChIKeyFTLLIVVRRMQHOE-UHFFFAOYSA-N
XLogP1.13
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 91792758) is 1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)c3cnc[nH]3)CC2)cs1.
What is the InChIKey of 1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is FTLLIVVRRMQHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-10-16-11(8-20-10)7-17-2-4-18(5-3-17)13(19)12-6-14-9-15-12/h6,8-9H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 291.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 91792758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).