(5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone

C9H14N4OS — CID 117213494

IUPAC(5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnsc2N)CC1
InChIInChI=1S/C9H14N4OS/c1-12-2-4-13(5-3-12)9(14)7-6-11-15-8(7)10/h6H,2-5,10H2,1H3
InChIKeyCPYDPKUSZSFXJA-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.11
Rot. Bonds1

About (5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone

(5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 117213494) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID117213494
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnsc2N)CC1
InChIInChI=1S/C9H14N4OS/c1-12-2-4-13(5-3-12)9(14)7-6-11-15-8(7)10/h6H,2-5,10H2,1H3
InChIKeyCPYDPKUSZSFXJA-UHFFFAOYSA-N
XLogP0.11
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone (CID 117213494) is (5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cnsc2N)CC1.
What is the InChIKey of (5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CPYDPKUSZSFXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-12-2-4-13(5-3-12)9(14)7-6-11-15-8(7)10/h6H,2-5,10H2,1H3.
What are the key properties of (5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
(5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2-thiazol-4-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 117213494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).