[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone

C19H15FN4OS — CID 46285742

IUPAC[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1sc(Nc2ccc(F)cc2)nc1N
InChIInChI=1S/C19H15FN4OS/c1-10-15(13-4-2-3-5-14(13)22-10)16(25)17-18(21)24-19(26-17)23-12-8-6-11(20)7-9-12/h2-9,22H,21H2,1H3,(H,23,24)
InChIKeyBQAPUAWBVLZRLS-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.63
Rot. Bonds4

About [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone

[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 46285742) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone
PubChem CID46285742
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1sc(Nc2ccc(F)cc2)nc1N
InChIInChI=1S/C19H15FN4OS/c1-10-15(13-4-2-3-5-14(13)22-10)16(25)17-18(21)24-19(26-17)23-12-8-6-11(20)7-9-12/h2-9,22H,21H2,1H3,(H,23,24)
InChIKeyBQAPUAWBVLZRLS-UHFFFAOYSA-N
XLogP4.63
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone (CID 46285742) is [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)c1sc(Nc2ccc(F)cc2)nc1N.
What is the InChIKey of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is BQAPUAWBVLZRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-10-15(13-4-2-3-5-14(13)22-10)16(25)17-18(21)24-19(26-17)23-12-8-6-11(20)7-9-12/h2-9,22H,21H2,1H3,(H,23,24).
What are the key properties of [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone?
[4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 366.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 46285742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).