2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C18H28N6OS2 — CID 11246825

IUPAC2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(NCCN3CCN(C)CC3)n2)s1
InChIInChI=1S/C18H28N6OS2/c1-13(2)15-11-20-18(27-15)22-16(25)10-14-12-26-17(21-14)19-4-5-24-8-6-23(3)7-9-24/h11-13H,4-10H2,1-3H3,(H,19,21)(H,20,22,25)
InChIKeyQNTNHKSLPWYHAJ-UHFFFAOYSA-N
MW408.60 g/mol
LogP2.56
Rot. Bonds8

About 2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 11246825) has the molecular formula C18H28N6OS2 and a molecular weight of 408.60 g/mol. Its IUPAC name is 2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID11246825
Molecular FormulaC18H28N6OS2
Molecular Weight408.60 g/mol
Exact Mass408.18
IUPAC Name2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(NCCN3CCN(C)CC3)n2)s1
InChIInChI=1S/C18H28N6OS2/c1-13(2)15-11-20-18(27-15)22-16(25)10-14-12-26-17(21-14)19-4-5-24-8-6-23(3)7-9-24/h11-13H,4-10H2,1-3H3,(H,19,21)(H,20,22,25)
InChIKeyQNTNHKSLPWYHAJ-UHFFFAOYSA-N
XLogP2.56
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.60
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 11246825) is 2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1cnc(NC(=O)Cc2csc(NCCN3CCN(C)CC3)n2)s1.
What is the InChIKey of 2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QNTNHKSLPWYHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6OS2/c1-13(2)15-11-20-18(27-15)22-16(25)10-14-12-26-17(21-14)19-4-5-24-8-6-23(3)7-9-24/h11-13H,4-10H2,1-3H3,(H,19,21)(H,20,22,25).
What are the key properties of 2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 408.60 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylpiperazin-1-yl)ethylamino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 11246825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).