5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide

C13H15ClN4O3S2 — CID 75432318

IUPAC5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nc(CN2CCOCC2)cs1)c1cncc(Cl)c1
InChIInChI=1S/C13H15ClN4O3S2/c14-10-5-12(7-15-6-10)23(19,20)17-13-16-11(9-22-13)8-18-1-3-21-4-2-18/h5-7,9H,1-4,8H2,(H,16,17)
InChIKeyUPIZOZOZGXQRMV-UHFFFAOYSA-N
MW374.88 g/mol
LogP1.82
Rot. Bonds5

About 5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide

5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide (PubChem CID 75432318) has the molecular formula C13H15ClN4O3S2 and a molecular weight of 374.88 g/mol. Its IUPAC name is 5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide
PubChem CID75432318
Molecular FormulaC13H15ClN4O3S2
Molecular Weight374.88 g/mol
Exact Mass374.03
IUPAC Name5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nc(CN2CCOCC2)cs1)c1cncc(Cl)c1
InChIInChI=1S/C13H15ClN4O3S2/c14-10-5-12(7-15-6-10)23(19,20)17-13-16-11(9-22-13)8-18-1-3-21-4-2-18/h5-7,9H,1-4,8H2,(H,16,17)
InChIKeyUPIZOZOZGXQRMV-UHFFFAOYSA-N
XLogP1.82
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 87545701
2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78776000
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 78776007
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 112761977
(Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 95296825
3-cyclopentylsulfonyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 47044892
1-[(3,4-dichlorophenyl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea;hydrochloride
CID 87736854
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
4-(2-cyanoethylsulfamoyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30548218
4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine
CID 117191298
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110359969

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide (CID 75432318) is 5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1nc(CN2CCOCC2)cs1)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide?
The InChIKey is UPIZOZOZGXQRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3S2/c14-10-5-12(7-15-6-10)23(19,20)17-13-16-11(9-22-13)8-18-1-3-21-4-2-18/h5-7,9H,1-4,8H2,(H,16,17).
What are the key properties of 5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide?
5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide has a molecular weight of 374.88 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 75432318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).