[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone

C15H12N2O2S — CID 44581364

IUPAC[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C15H12N2O2S/c1-16-15-17-12(11-8-5-9-19-11)14(20-15)13(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17)
InChIKeyVVCBHFZICJIYTO-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.68
Rot. Bonds4

About [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone

[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 44581364) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID44581364
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C15H12N2O2S/c1-16-15-17-12(11-8-5-9-19-11)14(20-15)13(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17)
InChIKeyVVCBHFZICJIYTO-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
CID 23144647
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
CID 23144525
[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethanone;(NE)-N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine;hydroxylamine;methane;hydrochloride
CID 172938819
N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide
CID 23144669
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
CID 87218284
[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218248
[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 87218532
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide
CID 158305858
N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144285
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
CID 87275513
N-[[4-(furan-2-yl)-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-phenylmethylidene]hydroxylamine
CID 152779443

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 44581364) is [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone is CNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is VVCBHFZICJIYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-16-15-17-12(11-8-5-9-19-11)14(20-15)13(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17).
What are the key properties of [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 284.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 44581364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).