(4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone

C11H12N2O2S — CID 105099265

IUPAC(4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone
SMILESCC(C)(C)c1nnsc1C(=O)c1ccco1
InChIInChI=1S/C11H12N2O2S/c1-11(2,3)10-9(16-13-12-10)8(14)7-5-4-6-15-7/h4-6H,1-3H3
InChIKeyPKEKGYAFCMIZCF-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.66
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone

(4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone (PubChem CID 105099265) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone
PubChem CID105099265
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone
SMILESCC(C)(C)c1nnsc1C(=O)c1ccco1
InChIInChI=1S/C11H12N2O2S/c1-11(2,3)10-9(16-13-12-10)8(14)7-5-4-6-15-7/h4-6H,1-3H3
InChIKeyPKEKGYAFCMIZCF-UHFFFAOYSA-N
XLogP2.66
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(3-chlorophenyl)methanone
CID 105082687
(4-tert-butylphenyl)-(furan-2-yl)methanone;hydrochloride
CID 70398027
(4-tert-butylphenyl)-(furan-2-yl)methanone
CID 12536587
(4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone
CID 107561535
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone
CID 91926665
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205586
4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide
CID 65210557
[5-[2-[5-[2-[5-(furan-2-carbonyl)furan-2-yl]propan-2-yl]furan-2-yl]propan-2-yl]furan-2-yl]-(furan-2-yl)methanone
CID 10972760
2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 65205295
furan-2-yl(phosphanyl)methanone
CID 151549332

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone (CID 105099265) is (4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone is CC(C)(C)c1nnsc1C(=O)c1ccco1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone?
The InChIKey is PKEKGYAFCMIZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-11(2,3)10-9(16-13-12-10)8(14)7-5-4-6-15-7/h4-6H,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone?
(4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone has a molecular weight of 236.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 105099265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).