(4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone

C13H21N3OS — CID 53016129

IUPAC(4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C(C)C)c(C(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C13H21N3OS/c1-9(2)11-12(18-10(3)14-11)13(17)16-7-5-15(4)6-8-16/h9H,5-8H2,1-4H3
InChIKeyQGCBYTRVIKTVFX-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.96
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone

(4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 53016129) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID53016129
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C(C)C)c(C(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C13H21N3OS/c1-9(2)11-12(18-10(3)14-11)13(17)16-7-5-15(4)6-8-16/h9H,5-8H2,1-4H3
InChIKeyQGCBYTRVIKTVFX-UHFFFAOYSA-N
XLogP1.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 53016129) is (4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(C(C)C)c(C(=O)N2CCN(C)CC2)s1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is QGCBYTRVIKTVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)11-12(18-10(3)14-11)13(17)16-7-5-15(4)6-8-16/h9H,5-8H2,1-4H3.
What are the key properties of (4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone?
(4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 267.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 53016129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).