(2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C15H18N4O2S — CID 126443134

IUPAC(2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)NC(C)(C)c3nnc(N)s3)ccc2O1
InChIInChI=1S/C15H18N4O2S/c1-8-6-10-7-9(4-5-11(10)21-8)12(20)17-15(2,3)13-18-19-14(16)22-13/h4-5,7-8H,6H2,1-3H3,(H2,16,19)(H,17,20)/t8-/m1/s1
InChIKeySSRSELBHDJYFMX-MRVPVSSYSA-N
MW318.40 g/mol
LogP2.11
Rot. Bonds3

About (2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

(2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 126443134) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID126443134
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)NC(C)(C)c3nnc(N)s3)ccc2O1
InChIInChI=1S/C15H18N4O2S/c1-8-6-10-7-9(4-5-11(10)21-8)12(20)17-15(2,3)13-18-19-14(16)22-13/h4-5,7-8H,6H2,1-3H3,(H2,16,19)(H,17,20)/t8-/m1/s1
InChIKeySSRSELBHDJYFMX-MRVPVSSYSA-N
XLogP2.11
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 74233993
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 74233745
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782548
2,2,3,3-tetrafluoro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 114032796
(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
CID 124930456
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782557
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782602
(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 27210785
N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782559
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of (2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 126443134) is (2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for (2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for (2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is C[C@@H]1Cc2cc(C(=O)NC(C)(C)c3nnc(N)s3)ccc2O1.
What is the InChIKey of (2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is SSRSELBHDJYFMX-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-8-6-10-7-9(4-5-11(10)21-8)12(20)17-15(2,3)13-18-19-14(16)22-13/h4-5,7-8H,6H2,1-3H3,(H2,16,19)(H,17,20)/t8-/m1/s1.
What are the key properties of (2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
(2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 126443134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).