N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide

C23H17N3OS — CID 40691827

IUPACN-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
SMILESCc1csc2nc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)cn12
InChIInChI=1S/C23H17N3OS/c1-15-14-28-23-25-21(13-26(15)23)17-8-10-20(11-9-17)24-22(27)19-7-6-16-4-2-3-5-18(16)12-19/h2-14H,1H3,(H,24,27)
InChIKeyXTTUOSBMQGYDHA-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.78
Rot. Bonds3

About N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide

N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 40691827) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
PubChem CID40691827
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC NameN-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
SMILESCc1csc2nc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)cn12
InChIInChI=1S/C23H17N3OS/c1-15-14-28-23-25-21(13-26(15)23)17-8-10-20(11-9-17)24-22(27)19-7-6-16-4-2-3-5-18(16)12-19/h2-14H,1H3,(H,24,27)
InChIKeyXTTUOSBMQGYDHA-UHFFFAOYSA-N
XLogP5.78
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide (CID 40691827) is N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide is Cc1csc2nc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)cn12.
What is the InChIKey of N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is XTTUOSBMQGYDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c1-15-14-28-23-25-21(13-26(15)23)17-8-10-20(11-9-17)24-22(27)19-7-6-16-4-2-3-5-18(16)12-19/h2-14H,1H3,(H,24,27).
What are the key properties of N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide?
N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 40691827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).