N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide

C17H21N3O3S2 — CID 108780412

IUPACN-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1)C1CC1
InChIInChI=1S/C17H21N3O3S2/c21-25(22,14-6-7-14)19-17-18-16(13-4-2-1-3-5-13)15(24-17)12-20-8-10-23-11-9-20/h1-5,14H,6-12H2,(H,18,19)
InChIKeyHFHXRQREZAJWSH-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.55
Rot. Bonds6

About N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide

N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide (PubChem CID 108780412) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide
PubChem CID108780412
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1)C1CC1
InChIInChI=1S/C17H21N3O3S2/c21-25(22,14-6-7-14)19-17-18-16(13-4-2-1-3-5-13)15(24-17)12-20-8-10-23-11-9-20/h1-5,14H,6-12H2,(H,18,19)
InChIKeyHFHXRQREZAJWSH-UHFFFAOYSA-N
XLogP2.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide (CID 108780412) is N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide is O=S(=O)(Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1)C1CC1.
What is the InChIKey of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide?
The InChIKey is HFHXRQREZAJWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c21-25(22,14-6-7-14)19-17-18-16(13-4-2-1-3-5-13)15(24-17)12-20-8-10-23-11-9-20/h1-5,14H,6-12H2,(H,18,19).
What are the key properties of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide?
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide has a molecular weight of 379.51 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 108780412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).