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

C19H30N6OS2 — CID 11452964

IUPAC2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(N(C)CCN3CCN(C)CC3)n2)s1
InChIInChI=1S/C19H30N6OS2/c1-14(2)16-12-20-18(28-16)22-17(26)11-15-13-27-19(21-15)24(4)7-10-25-8-5-23(3)6-9-25/h12-14H,5-11H2,1-4H3,(H,20,22,26)
InChIKeyOZEYLCOZWGLMSY-UHFFFAOYSA-N
MW422.62 g/mol
LogP2.59
Rot. Bonds8

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

2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 11452964) has the molecular formula C19H30N6OS2 and a molecular weight of 422.62 g/mol. Its IUPAC name is 2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID11452964
Molecular FormulaC19H30N6OS2
Molecular Weight422.62 g/mol
Exact Mass422.19
IUPAC Name2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(N(C)CCN3CCN(C)CC3)n2)s1
InChIInChI=1S/C19H30N6OS2/c1-14(2)16-12-20-18(28-16)22-17(26)11-15-13-27-19(21-15)24(4)7-10-25-8-5-23(3)6-9-25/h12-14H,5-11H2,1-4H3,(H,20,22,26)
InChIKeyOZEYLCOZWGLMSY-UHFFFAOYSA-N
XLogP2.59
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 11452964) is 2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1cnc(NC(=O)Cc2csc(N(C)CCN3CCN(C)CC3)n2)s1.
What is the InChIKey of 2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OZEYLCOZWGLMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6OS2/c1-14(2)16-12-20-18(28-16)22-17(26)11-15-13-27-19(21-15)24(4)7-10-25-8-5-23(3)6-9-25/h12-14H,5-11H2,1-4H3,(H,20,22,26).
What are the key properties of 2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 422.62 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 11452964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).