N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide

C22H19N3O3S — CID 93060296

IUPACN-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide
SMILESC[C@H](Cc1ccco1)NC(=O)c1ccccc1NC(=O)c1nsc2ccccc12
InChIInChI=1S/C22H19N3O3S/c1-14(13-15-7-6-12-28-15)23-21(26)16-8-2-4-10-18(16)24-22(27)20-17-9-3-5-11-19(17)29-25-20/h2-12,14H,13H2,1H3,(H,23,26)(H,24,27)/t14-/m1/s1
InChIKeyNFYRLDHOXXFUAI-CQSZACIVSA-N
MW405.48 g/mol
LogP4.50
Rot. Bonds6

About N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide

N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide (PubChem CID 93060296) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide
PubChem CID93060296
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide
SMILESC[C@H](Cc1ccco1)NC(=O)c1ccccc1NC(=O)c1nsc2ccccc12
InChIInChI=1S/C22H19N3O3S/c1-14(13-15-7-6-12-28-15)23-21(26)16-8-2-4-10-18(16)24-22(27)20-17-9-3-5-11-19(17)29-25-20/h2-12,14H,13H2,1H3,(H,23,26)(H,24,27)/t14-/m1/s1
InChIKeyNFYRLDHOXXFUAI-CQSZACIVSA-N
XLogP4.50
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide
CID 93060285
2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179091
N-[1-(furan-2-yl)propan-2-yl]-1H-indole-3-carboxamide
CID 61043525
2-[(4-chlorophenyl)sulfonylamino]-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 55620142
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94022833
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[2-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide
CID 53091505
2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
CID 113338814
N-[1-(furan-2-yl)propan-2-yl]-4-hydrazinylpyridine-3-carboxamide
CID 81256734
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353962

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide (CID 93060296) is N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide is C[C@H](Cc1ccco1)NC(=O)c1ccccc1NC(=O)c1nsc2ccccc12.
What is the InChIKey of N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide?
The InChIKey is NFYRLDHOXXFUAI-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14(13-15-7-6-12-28-15)23-21(26)16-8-2-4-10-18(16)24-22(27)20-17-9-3-5-11-19(17)29-25-20/h2-12,14H,13H2,1H3,(H,23,26)(H,24,27)/t14-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide?
N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 93060296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).