4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide

C15H18FN3OS — CID 64557871

IUPAC4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCCCNC(C)c1csc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3OS/c1-3-8-17-10(2)13-9-21-15(18-13)19-14(20)11-4-6-12(16)7-5-11/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,19,20)
InChIKeyRUOBRRAWRCALNK-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.60
Rot. Bonds6

About 4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide

4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 64557871) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID64557871
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCCCNC(C)c1csc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3OS/c1-3-8-17-10(2)13-9-21-15(18-13)19-14(20)11-4-6-12(16)7-5-11/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,19,20)
InChIKeyRUOBRRAWRCALNK-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 64558469
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 64558061
2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 64557479
3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64556483
2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 64557088
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide
CID 64558466
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014646
2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide
CID 64558074
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide
CID 107675636
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 104785736
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 64558266

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide (CID 64557871) is 4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide is CCCNC(C)c1csc(NC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is RUOBRRAWRCALNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-3-8-17-10(2)13-9-21-15(18-13)19-14(20)11-4-6-12(16)7-5-11/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,19,20).
What are the key properties of 4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 307.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 64557871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).