6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C19H12Cl2N6O2S2 — CID 2353738

IUPAC6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(Cl)nc3sccn23)cc1NC(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C19H12Cl2N6O2S2/c1-9-2-3-10(22-16(28)12-14(20)24-18-26(12)4-6-30-18)8-11(9)23-17(29)13-15(21)25-19-27(13)5-7-31-19/h2-8H,1H3,(H,22,28)(H,23,29)
InChIKeyKXHFKBXQJFISCE-UHFFFAOYSA-N
MW491.39 g/mol
LogP5.22
Rot. Bonds4

About 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 2353738) has the molecular formula C19H12Cl2N6O2S2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID2353738
Molecular FormulaC19H12Cl2N6O2S2
Molecular Weight491.39 g/mol
Exact Mass489.98
IUPAC Name6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(Cl)nc3sccn23)cc1NC(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C19H12Cl2N6O2S2/c1-9-2-3-10(22-16(28)12-14(20)24-18-26(12)4-6-30-18)8-11(9)23-17(29)13-15(21)25-19-27(13)5-7-31-19/h2-8H,1H3,(H,22,28)(H,23,29)
InChIKeyKXHFKBXQJFISCE-UHFFFAOYSA-N
XLogP5.22
TPSA92.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 2353738) is 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1ccc(NC(=O)c2c(Cl)nc3sccn23)cc1NC(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is KXHFKBXQJFISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N6O2S2/c1-9-2-3-10(22-16(28)12-14(20)24-18-26(12)4-6-30-18)8-11(9)23-17(29)13-15(21)25-19-27(13)5-7-31-19/h2-8H,1H3,(H,22,28)(H,23,29).
What are the key properties of 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 491.39 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]-4-methylphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 2353738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).