N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide

C16H16N2O3S — CID 99872590

IUPACN-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1nc2ccccc2s1)Cc1ccco1
InChIInChI=1S/C16H16N2O3S/c1-16(20,9-11-5-4-8-21-11)10-17-14(19)15-18-12-6-2-3-7-13(12)22-15/h2-8,20H,9-10H2,1H3,(H,17,19)/t16-/m1/s1
InChIKeyKUQODYBMKYBDEI-MRXNPFEDSA-N
MW316.38 g/mol
LogP2.61
Rot. Bonds5

About N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide

N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 99872590) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide
PubChem CID99872590
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1nc2ccccc2s1)Cc1ccco1
InChIInChI=1S/C16H16N2O3S/c1-16(20,9-11-5-4-8-21-11)10-17-14(19)15-18-12-6-2-3-7-13(12)22-15/h2-8,20H,9-10H2,1H3,(H,17,19)/t16-/m1/s1
InChIKeyKUQODYBMKYBDEI-MRXNPFEDSA-N
XLogP2.61
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-1,3-benzothiazole-2-carboxamide
CID 95984337
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide
CID 90497526
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2,2-diphenylacetamide
CID 90605067
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
CID 99872555
4-(dimethylamino)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90604997
N-(2-hydroxy-3-methoxy-2-phenylpropyl)-1,3-benzothiazole-2-carboxamide
CID 122243128
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967
3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90605052
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 95379399
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
CID 99872611

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide (CID 99872590) is N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide is C[C@](O)(CNC(=O)c1nc2ccccc2s1)Cc1ccco1.
What is the InChIKey of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is KUQODYBMKYBDEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-16(20,9-11-5-4-8-21-11)10-17-14(19)15-18-12-6-2-3-7-13(12)22-15/h2-8,20H,9-10H2,1H3,(H,17,19)/t16-/m1/s1.
What are the key properties of N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide?
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 99872590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).