N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide

C22H29FN4O3S — CID 56549898

IUPACN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1
InChIInChI=1S/C22H29FN4O3S/c1-4-11-27(12-5-2)21(30)8-6-7-20(29)26-22-25-19(14-31-22)17-10-9-16(13-18(17)23)24-15(3)28/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyDNLRBQWNFXUBIX-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.66
Rot. Bonds11

About N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide (PubChem CID 56549898) has the molecular formula C22H29FN4O3S and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
PubChem CID56549898
Molecular FormulaC22H29FN4O3S
Molecular Weight448.56 g/mol
Exact Mass448.19
IUPAC NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1
InChIInChI=1S/C22H29FN4O3S/c1-4-11-27(12-5-2)21(30)8-6-7-20(29)26-22-25-19(14-31-22)17-10-9-16(13-18(17)23)24-15(3)28/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyDNLRBQWNFXUBIX-UHFFFAOYSA-N
XLogP4.66
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521368
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
CID 55461133
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55460998
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
N-[2-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649957
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)propanamide
CID 16962407
N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide
CID 9356412
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
methyl 5-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55824497
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide (CID 56549898) is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1.
What is the InChIKey of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide?
The InChIKey is DNLRBQWNFXUBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3S/c1-4-11-27(12-5-2)21(30)8-6-7-20(29)26-22-25-19(14-31-22)17-10-9-16(13-18(17)23)24-15(3)28/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,24,28)(H,25,26,29).
What are the key properties of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide?
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide has a molecular weight of 448.56 g/mol, XLogP of 4.66, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56549898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).