3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide

C16H25N3O4S2 — CID 47044892

IUPAC3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C16H25N3O4S2/c20-15(5-10-25(21,22)14-3-1-2-4-14)18-16-17-13(12-24-16)11-19-6-8-23-9-7-19/h12,14H,1-11H2,(H,17,18,20)
InChIKeyVIZSIMFDQVNGAN-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.66
Rot. Bonds7

About 3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide

3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 47044892) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID47044892
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC Name3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C16H25N3O4S2/c20-15(5-10-25(21,22)14-3-1-2-4-14)18-16-17-13(12-24-16)11-19-6-8-23-9-7-19/h12,14H,1-11H2,(H,17,18,20)
InChIKeyVIZSIMFDQVNGAN-UHFFFAOYSA-N
XLogP1.66
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30547818
4-(cyclohexylcarbamoylamino)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]butanamide
CID 29324976
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966007
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
3-(4-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 46525016
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830544
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 167983152
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-naphthalen-2-ylpropanamide
CID 55855793
3-cyclopentylsulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 55760133
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 47044892) is 3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)C1CCCC1)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VIZSIMFDQVNGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c20-15(5-10-25(21,22)14-3-1-2-4-14)18-16-17-13(12-24-16)11-19-6-8-23-9-7-19/h12,14H,1-11H2,(H,17,18,20).
What are the key properties of 3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide?
3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 387.53 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 47044892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).