N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide

C14H14FN3O3S2 — CID 24737498

IUPACN-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(CNS(=O)(=O)c2ccccc2F)n1
InChIInChI=1S/C14H14FN3O3S2/c15-10-3-1-2-4-12(10)23(20,21)16-7-13-18-11(8-22-13)14(19)17-9-5-6-9/h1-4,8-9,16H,5-7H2,(H,17,19)
InChIKeyPRTAGQMWTUPPNG-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.65
Rot. Bonds6

About N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 24737498) has the molecular formula C14H14FN3O3S2 and a molecular weight of 355.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID24737498
Molecular FormulaC14H14FN3O3S2
Molecular Weight355.42 g/mol
Exact Mass355.05
IUPAC NameN-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(CNS(=O)(=O)c2ccccc2F)n1
InChIInChI=1S/C14H14FN3O3S2/c15-10-3-1-2-4-12(10)23(20,21)16-7-13-18-11(8-22-13)14(19)17-9-5-6-9/h1-4,8-9,16H,5-7H2,(H,17,19)
InChIKeyPRTAGQMWTUPPNG-UHFFFAOYSA-N
XLogP1.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24713029
2-[[(2-cyanophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379328
4-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230199
N-[4-[(3,4-dichlorobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106236
2-[(2-fluorophenoxy)methyl]-N-[4-[[(3R)-3,5,5-trimethylhexanoyl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014726
N-[4-[(3-bromobenzoyl)amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106244
2-[[(2-fluorophenyl)sulfonylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628148
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 7983047
N-cyclopropyl-2-[[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 1032429
2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 114533520
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 66377831
N-cyclopropyl-2-[2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866306

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide (CID 24737498) is N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1csc(CNS(=O)(=O)c2ccccc2F)n1.
What is the InChIKey of N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PRTAGQMWTUPPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S2/c15-10-3-1-2-4-12(10)23(20,21)16-7-13-18-11(8-22-13)14(19)17-9-5-6-9/h1-4,8-9,16H,5-7H2,(H,17,19).
What are the key properties of N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(2-fluorophenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24737498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).