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

C12H15N3OS2 — CID 86647783

IUPACN-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(C(C)C)n2)s1
InChIInChI=1S/C12H15N3OS2/c1-6(2)11-15-9(5-17-11)10-7(3)13-12(18-10)14-8(4)16/h5-6H,1-4H3,(H,13,14,16)
InChIKeyODHTUULNNXMEFK-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.66
Rot. Bonds3

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

N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 86647783) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID86647783
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(C(C)C)n2)s1
InChIInChI=1S/C12H15N3OS2/c1-6(2)11-15-9(5-17-11)10-7(3)13-12(18-10)14-8(4)16/h5-6H,1-4H3,(H,13,14,16)
InChIKeyODHTUULNNXMEFK-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide (CID 86647783) is N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(C(C)C)n2)s1.
What is the InChIKey of N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ODHTUULNNXMEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-6(2)11-15-9(5-17-11)10-7(3)13-12(18-10)14-8(4)16/h5-6H,1-4H3,(H,13,14,16).
What are the key properties of N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 281.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86647783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).