2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

C17H19N5O4S3 — CID 55788904

IUPAC2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)cs2)cn1
InChIInChI=1S/C17H19N5O4S3/c1-21-10-12(8-19-21)17-20-14(11-27-17)16(23)18-9-13-2-3-15(28-13)29(24,25)22-4-6-26-7-5-22/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,23)
InChIKeySMVYXQRXJFVCRG-UHFFFAOYSA-N
MW453.57 g/mol
LogP1.56
Rot. Bonds6

About 2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 55788904) has the molecular formula C17H19N5O4S3 and a molecular weight of 453.57 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID55788904
Molecular FormulaC17H19N5O4S3
Molecular Weight453.57 g/mol
Exact Mass453.06
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)cs2)cn1
InChIInChI=1S/C17H19N5O4S3/c1-21-10-12(8-19-21)17-20-14(11-27-17)16(23)18-9-13-2-3-15(28-13)29(24,25)22-4-6-26-7-5-22/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,23)
InChIKeySMVYXQRXJFVCRG-UHFFFAOYSA-N
XLogP1.56
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55847165
5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 55479527
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 47048396
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 146085697
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
2-(1-methylpyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51101862
5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 41312007
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111484287
2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 120984439

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 55788904) is 2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SMVYXQRXJFVCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S3/c1-21-10-12(8-19-21)17-20-14(11-27-17)16(23)18-9-13-2-3-15(28-13)29(24,25)22-4-6-26-7-5-22/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,23).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55788904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).