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

C17H27N3OS2 — CID 72907293

IUPAC(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCN(C2CCSCC2)CC1
InChIInChI=1S/C17H27N3OS2/c1-12(2)16-18-13(3)15(23-16)17(21)20-8-6-19(7-9-20)14-4-10-22-11-5-14/h12,14H,4-11H2,1-3H3
InChIKeyLFCCRDAEUKKHDD-UHFFFAOYSA-N
MW353.56 g/mol
LogP3.23
Rot. Bonds3

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

(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone (PubChem CID 72907293) has the molecular formula C17H27N3OS2 and a molecular weight of 353.56 g/mol. Its IUPAC name is (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
PubChem CID72907293
Molecular FormulaC17H27N3OS2
Molecular Weight353.56 g/mol
Exact Mass353.16
IUPAC Name(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCN(C2CCSCC2)CC1
InChIInChI=1S/C17H27N3OS2/c1-12(2)16-18-13(3)15(23-16)17(21)20-8-6-19(7-9-20)14-4-10-22-11-5-14/h12,14H,4-11H2,1-3H3
InChIKeyLFCCRDAEUKKHDD-UHFFFAOYSA-N
XLogP3.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.56
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone (CID 72907293) is (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone is Cc1nc(C(C)C)sc1C(=O)N1CCN(C2CCSCC2)CC1.
What is the InChIKey of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone?
The InChIKey is LFCCRDAEUKKHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS2/c1-12(2)16-18-13(3)15(23-16)17(21)20-8-6-19(7-9-20)14-4-10-22-11-5-14/h12,14H,4-11H2,1-3H3.
What are the key properties of (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone?
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone has a molecular weight of 353.56 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 72907293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).