N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

C19H15N3O2S — CID 21249483

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C19H15N3O2S/c1-24-14-8-6-12(7-9-14)17-11-25-19(21-17)22-18(23)16-10-13-4-2-3-5-15(13)20-16/h2-11,20H,1H3,(H,21,22,23)
InChIKeyCZGJEMCWMSRPIL-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.55
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (PubChem CID 21249483) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
PubChem CID21249483
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C19H15N3O2S/c1-24-14-8-6-12(7-9-14)17-11-25-19(21-17)22-18(23)16-10-13-4-2-3-5-15(13)20-16/h2-11,20H,1H3,(H,21,22,23)
InChIKeyCZGJEMCWMSRPIL-UHFFFAOYSA-N
XLogP4.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (CID 21249483) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc4ccccc4[nH]3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The InChIKey is CZGJEMCWMSRPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-24-14-8-6-12(7-9-14)17-11-25-19(21-17)22-18(23)16-10-13-4-2-3-5-15(13)20-16/h2-11,20H,1H3,(H,21,22,23).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 21249483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).