(2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C14H21N3OS — CID 86796249

IUPAC(2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cnc(C3CC3)s2)CC(C)N1C
InChIInChI=1S/C14H21N3OS/c1-9-7-17(8-10(2)16(9)3)14(18)12-6-15-13(19-12)11-4-5-11/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyRZANRYXWEIUIIC-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.19
Rot. Bonds2

About (2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 86796249) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is (2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID86796249
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name(2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cnc(C3CC3)s2)CC(C)N1C
InChIInChI=1S/C14H21N3OS/c1-9-7-17(8-10(2)16(9)3)14(18)12-6-15-13(19-12)11-4-5-11/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyRZANRYXWEIUIIC-UHFFFAOYSA-N
XLogP2.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 86796249) is (2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cnc(C3CC3)s2)CC(C)N1C.
What is the InChIKey of (2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is RZANRYXWEIUIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9-7-17(8-10(2)16(9)3)14(18)12-6-15-13(19-12)11-4-5-11/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of (2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 279.41 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 86796249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).