2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide

C20H26FN3O3S2 — CID 137442409

IUPAC2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(N)nc1C(=O)N(CCC1CCCCC1)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C20H26FN3O3S2/c1-14-18(23-20(22)28-14)19(25)24(11-10-15-6-3-2-4-7-15)29(26,27)13-16-8-5-9-17(21)12-16/h5,8-9,12,15H,2-4,6-7,10-11,13H2,1H3,(H2,22,23)
InChIKeyKZHPACJOUQTBNS-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.12
Rot. Bonds7

About 2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide

2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 137442409) has the molecular formula C20H26FN3O3S2 and a molecular weight of 439.58 g/mol. Its IUPAC name is 2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID137442409
Molecular FormulaC20H26FN3O3S2
Molecular Weight439.58 g/mol
Exact Mass439.14
IUPAC Name2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(N)nc1C(=O)N(CCC1CCCCC1)S(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C20H26FN3O3S2/c1-14-18(23-20(22)28-14)19(25)24(11-10-15-6-3-2-4-7-15)29(26,27)13-16-8-5-9-17(21)12-16/h5,8-9,12,15H,2-4,6-7,10-11,13H2,1H3,(H2,22,23)
InChIKeyKZHPACJOUQTBNS-UHFFFAOYSA-N
XLogP4.12
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065842
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
(2S)-2-(3-cyclohexylpropanoylamino)-3-(3-fluorophenyl)propanamide
CID 173142825
ethyl 2-[(3-fluorophenyl)methylsulfonyl-methylamino]acetate
CID 15118079
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
(3-fluorophenyl)methyl 2-cyclopentylacetate
CID 78760193
1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62788943

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 137442409) is 2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(N)nc1C(=O)N(CCC1CCCCC1)S(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is KZHPACJOUQTBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S2/c1-14-18(23-20(22)28-14)19(25)24(11-10-15-6-3-2-4-7-15)29(26,27)13-16-8-5-9-17(21)12-16/h5,8-9,12,15H,2-4,6-7,10-11,13H2,1H3,(H2,22,23).
What are the key properties of 2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide?
2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclohexylethyl)-N-[(3-fluorophenyl)methylsulfonyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137442409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).