N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide

C18H28N2O3S2 — CID 138994800

IUPACN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide
SMILESO=C(CC1CCCS(=O)(=O)C1)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C18H28N2O3S2/c21-17(11-14-5-4-10-25(22,23)13-14)19-9-8-18-20-16(12-24-18)15-6-2-1-3-7-15/h12,14-15H,1-11,13H2,(H,19,21)
InChIKeyRYAJCMUSCNZSCR-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide

N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide (PubChem CID 138994800) has the molecular formula C18H28N2O3S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide
PubChem CID138994800
Molecular FormulaC18H28N2O3S2
Molecular Weight384.57 g/mol
Exact Mass384.15
IUPAC NameN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide
SMILESO=C(CC1CCCS(=O)(=O)C1)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C18H28N2O3S2/c21-17(11-14-5-4-10-25(22,23)13-14)19-9-8-18-20-16(12-24-18)15-6-2-1-3-7-15/h12,14-15H,1-11,13H2,(H,19,21)
InChIKeyRYAJCMUSCNZSCR-UHFFFAOYSA-N
XLogP3.06
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95598021
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 120704485
4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 119886656
3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119886645
2-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185022
(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 96515887
N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide
CID 129344834
2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride
CID 119947232
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
N-benzyl-2-(1,1-dioxothian-3-yl)acetamide
CID 110850619
(1S,6S)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 129421691

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide?
The IUPAC name of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide (CID 138994800) is N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide?
The canonical SMILES for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide is O=C(CC1CCCS(=O)(=O)C1)NCCc1nc(C2CCCCC2)cs1.
What is the InChIKey of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide?
The InChIKey is RYAJCMUSCNZSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S2/c21-17(11-14-5-4-10-25(22,23)13-14)19-9-8-18-20-16(12-24-18)15-6-2-1-3-7-15/h12,14-15H,1-11,13H2,(H,19,21).
What are the key properties of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide?
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide has a molecular weight of 384.57 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide is sourced from PubChem (CID 138994800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).