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

C16H15ClN4O2S2 — CID 1144670

IUPACN-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1
InChIInChI=1S/C16H15ClN4O2S2/c1-8-14(25-16(18-8)19-9(2)22)12-7-24-15(21-12)20-11-6-10(17)4-5-13(11)23-3/h4-7H,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyAGTZTRPBFSCFQN-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.94
Rot. Bonds5

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

N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 1144670) has the molecular formula C16H15ClN4O2S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID1144670
Molecular FormulaC16H15ClN4O2S2
Molecular Weight394.91 g/mol
Exact Mass394.03
IUPAC NameN-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1
InChIInChI=1S/C16H15ClN4O2S2/c1-8-14(25-16(18-8)19-9(2)22)12-7-24-15(21-12)20-11-6-10(17)4-5-13(11)23-3/h4-7H,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyAGTZTRPBFSCFQN-UHFFFAOYSA-N
XLogP4.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 1144670) is N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1.
What is the InChIKey of N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is AGTZTRPBFSCFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S2/c1-8-14(25-16(18-8)19-9(2)22)12-7-24-15(21-12)20-11-6-10(17)4-5-13(11)23-3/h4-7H,1-3H3,(H,20,21)(H,18,19,22).
What are the key properties of N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 394.91 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1144670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).