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

C19H23N5OS2 — CID 1117218

IUPACN-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCN(CC)c1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1
InChIInChI=1S/C19H23N5OS2/c1-5-24(6-2)15-9-7-14(8-10-15)22-18-23-16(11-26-18)17-12(3)20-19(27-17)21-13(4)25/h7-11H,5-6H2,1-4H3,(H,22,23)(H,20,21,25)
InChIKeyHHQSMFLIIJOTLT-UHFFFAOYSA-N
MW401.56 g/mol
LogP5.12
Rot. Bonds7

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

N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 1117218) has the molecular formula C19H23N5OS2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID1117218
Molecular FormulaC19H23N5OS2
Molecular Weight401.56 g/mol
Exact Mass401.13
IUPAC NameN-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCN(CC)c1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1
InChIInChI=1S/C19H23N5OS2/c1-5-24(6-2)15-9-7-14(8-10-15)22-18-23-16(11-26-18)17-12(3)20-19(27-17)21-13(4)25/h7-11H,5-6H2,1-4H3,(H,22,23)(H,20,21,25)
InChIKeyHHQSMFLIIJOTLT-UHFFFAOYSA-N
XLogP5.12
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.56
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-Amino-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 40480560
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1092472
N-[5-[2-(4-bromoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 1186941
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
CID 2898103
N-(4'-Methyl-2-(p-tolylamino)-[4,5'-bithiazol]-2'-yl)acetamide
CID 2898142
N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
CID 1123739
N-[4'-methyl-2-(2-pyridinylamino)-4,5'-bi-1,3-thiazol-2'-yl]propanamide
CID 755435
N-[4-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-phenyl]-acetamide
CID 2877744
N-(4'-Methyl-2-m-tolylamino-[4,5']bithiazolyl-2'-yl)-acetamide
CID 3112395
N-[2-(allylamino)-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl]propanamide
CID 2292227
4'-Methyl-N2-phenyl-[4,5'-bithiazole]-2,2'-diamine
CID 2866410
N-[4-methyl-5-[2-(3-nitroanilino)-4-thiazolyl]-2-thiazolyl]acetamide
CID 2902308

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 1117218) is N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CCN(CC)c1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1.
What is the InChIKey of N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is HHQSMFLIIJOTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS2/c1-5-24(6-2)15-9-7-14(8-10-15)22-18-23-16(11-26-18)17-12(3)20-19(27-17)21-13(4)25/h7-11H,5-6H2,1-4H3,(H,22,23)(H,20,21,25).
What are the key properties of N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 401.56 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1117218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).