N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide

C17H19N3O2S2 — CID 70027553

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide
SMILESCOc1ccccc1Sc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)s1
InChIInChI=1S/C17H19N3O2S2/c1-22-13-4-2-3-5-14(13)23-15-9-18-17(24-15)16(21)20-12-8-10-6-7-11(12)19-10/h2-5,9-12,19H,6-8H2,1H3,(H,20,21)/t10-,11+,12-/m1/s1
InChIKeySFTKYLPVHGQNLE-GRYCIOLGSA-N
MW361.49 g/mol
LogP2.93
Rot. Bonds5

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide (PubChem CID 70027553) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide
PubChem CID70027553
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide
SMILESCOc1ccccc1Sc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)s1
InChIInChI=1S/C17H19N3O2S2/c1-22-13-4-2-3-5-14(13)23-15-9-18-17(24-15)16(21)20-12-8-10-6-7-11(12)19-10/h2-5,9-12,19H,6-8H2,1H3,(H,20,21)/t10-,11+,12-/m1/s1
InChIKeySFTKYLPVHGQNLE-GRYCIOLGSA-N
XLogP2.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-hydroxyphenyl)sulfanylthiophene-2-carboxamide
CID 70025508
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-fluorophenoxy)-1,3-thiazole-2-carboxamide
CID 18535616
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-methoxy-5-phenylthiophene-2-carboxamide
CID 70027855
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide
CID 70026070
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide
CID 18534925
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-bromophenyl)-1,3-thiazole-2-carboxamide
CID 70027522
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-sulfamoylphenyl)sulfanylthiophene-2-carboxamide
CID 70025805
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide
CID 18535430
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-phenylsulfanylthiophene-2-carboxamide
CID 18535408
N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide
CID 22243407
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
CID 70026491
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
CID 18535414

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide (CID 70027553) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide is COc1ccccc1Sc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)s1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide?
The InChIKey is SFTKYLPVHGQNLE-GRYCIOLGSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-22-13-4-2-3-5-14(13)23-15-9-18-17(24-15)16(21)20-12-8-10-6-7-11(12)19-10/h2-5,9-12,19H,6-8H2,1H3,(H,20,21)/t10-,11+,12-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 70027553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).