N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide

C20H24FN3O2S — CID 42208619

IUPACN-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESO=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NCC1CCCCC1
InChIInChI=1S/C20H24FN3O2S/c21-16-8-6-15(7-9-16)19(26)24-20-23-17(13-27-20)10-11-18(25)22-12-14-4-2-1-3-5-14/h6-9,13-14H,1-5,10-12H2,(H,22,25)(H,23,24,26)
InChIKeyBJNPNFZGAUNONN-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.16
Rot. Bonds7

About N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide

N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide (PubChem CID 42208619) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
PubChem CID42208619
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESO=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NCC1CCCCC1
InChIInChI=1S/C20H24FN3O2S/c21-16-8-6-15(7-9-16)19(26)24-20-23-17(13-27-20)10-11-18(25)22-12-14-4-2-1-3-5-14/h6-9,13-14H,1-5,10-12H2,(H,22,25)(H,23,24,26)
InChIKeyBJNPNFZGAUNONN-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide (CID 42208619) is N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide is O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NCC1CCCCC1.
What is the InChIKey of N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The InChIKey is BJNPNFZGAUNONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-16-8-6-15(7-9-16)19(26)24-20-23-17(13-27-20)10-11-18(25)22-12-14-4-2-1-3-5-14/h6-9,13-14H,1-5,10-12H2,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide has a molecular weight of 389.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(cyclohexylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 42208619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).