2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide

C16H21N3O3S — CID 98310107

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@H](CO)N(Cc1ccco1)C(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C16H21N3O3S/c1-2-12(10-20)19(9-14-4-3-7-22-14)15(21)8-13-11-23-16-17-5-6-18(13)16/h3-4,7,11-12,20H,2,5-6,8-10H2,1H3/t12-/m1/s1
InChIKeyAMRIIYMLNQSCGI-GFCCVEGCSA-N
MW335.43 g/mol
LogP2.03
Rot. Bonds7

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide (PubChem CID 98310107) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
PubChem CID98310107
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@H](CO)N(Cc1ccco1)C(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C16H21N3O3S/c1-2-12(10-20)19(9-14-4-3-7-22-14)15(21)8-13-11-23-16-17-5-6-18(13)16/h3-4,7,11-12,20H,2,5-6,8-10H2,1H3/t12-/m1/s1
InChIKeyAMRIIYMLNQSCGI-GFCCVEGCSA-N
XLogP2.03
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 98310106
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-(2-methylphenyl)propanamide
CID 50964980
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 46994383
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 45235611
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 50962627
N-(furan-2-ylmethyl)-2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-5-pyrrol-1-ylbenzamide
CID 95228784
3-(2H-benzotriazol-5-yl)-1-(furan-2-ylmethyl)-1-[(2S)-1-hydroxybutan-2-yl]urea
CID 125155612
3-amino-N-butan-2-yl-N-(furan-2-ylmethyl)propanamide
CID 112501488
N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]-3-[4-(methylamino)phenyl]benzamide
CID 125171573
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-3-[4-(methylamino)phenyl]benzamide
CID 118778400
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108810114
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 108787625

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide (CID 98310107) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide is CC[C@H](CO)N(Cc1ccco1)C(=O)CC1=CSC2=NCCN12.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The InChIKey is AMRIIYMLNQSCGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-12(10-20)19(9-14-4-3-7-22-14)15(21)8-13-11-23-16-17-5-6-18(13)16/h3-4,7,11-12,20H,2,5-6,8-10H2,1H3/t12-/m1/s1.
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(furan-2-ylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 98310107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).