N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide

C12H11N3O2S — CID 3237333

IUPACN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide
SMILESCc1csc2nc(CNC(=O)c3ccco3)cn12
InChIInChI=1S/C12H11N3O2S/c1-8-7-18-12-14-9(6-15(8)12)5-13-11(16)10-3-2-4-17-10/h2-4,6-7H,5H2,1H3,(H,13,16)
InChIKeyQVVDKOVSSCKPPB-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.23
Rot. Bonds3

About N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide

N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide (PubChem CID 3237333) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide
PubChem CID3237333
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide
SMILESCc1csc2nc(CNC(=O)c3ccco3)cn12
InChIInChI=1S/C12H11N3O2S/c1-8-7-18-12-14-9(6-15(8)12)5-13-11(16)10-3-2-4-17-10/h2-4,6-7H,5H2,1H3,(H,13,16)
InChIKeyQVVDKOVSSCKPPB-UHFFFAOYSA-N
XLogP2.23
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 5767539
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2487733
N-[(2S)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
CID 2536143
N-[1-oxo-1-[[4-(2-pyridinyl)-2-thiazolyl]amino]propan-2-yl]-2-furancarboxamide
CID 2999347
(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone
CID 5310375
N-[1-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)-2-(2-thienyl)vinyl]-2-furamide
CID 5731976
2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7151137
N-(2-furylmethyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2901742
3-(Imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 2998689
N-(furan-2-ylmethyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 5310014
Ethyl 6-[4-(furan-2-carbonylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192455

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide (CID 3237333) is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide is Cc1csc2nc(CNC(=O)c3ccco3)cn12.
What is the InChIKey of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide?
The InChIKey is QVVDKOVSSCKPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-8-7-18-12-14-9(6-15(8)12)5-13-11(16)10-3-2-4-17-10/h2-4,6-7H,5H2,1H3,(H,13,16).
What are the key properties of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide?
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3237333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).