N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

C20H19N3O2S — CID 41091056

IUPACN-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
SMILESC[C@H](CCc1ccco1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1
InChIInChI=1S/C20H19N3O2S/c1-14(6-8-16-5-4-12-25-16)21-19(24)15-7-9-17-18(13-15)26-20(22-17)23-10-2-3-11-23/h2-5,7,9-14H,6,8H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyHJQYGWFUKCVIRY-CQSZACIVSA-N
MW365.46 g/mol
LogP4.43
Rot. Bonds6

About N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 41091056) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
PubChem CID41091056
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
SMILESC[C@H](CCc1ccco1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1
InChIInChI=1S/C20H19N3O2S/c1-14(6-8-16-5-4-12-25-16)21-19(24)15-7-9-17-18(13-15)26-20(22-17)23-10-2-3-11-23/h2-5,7,9-14H,6,8H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyHJQYGWFUKCVIRY-CQSZACIVSA-N
XLogP4.43
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 51809095
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 45370497
N-[(2R)-4-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 51825385
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
2-pyrrol-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 2728386
N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide
CID 97020373

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide (CID 41091056) is N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide is C[C@H](CCc1ccco1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1.
What is the InChIKey of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is HJQYGWFUKCVIRY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14(6-8-16-5-4-12-25-16)21-19(24)15-7-9-17-18(13-15)26-20(22-17)23-10-2-3-11-23/h2-5,7,9-14H,6,8H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide?
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 41091056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).