N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C18H22N4O2S — CID 51953887

IUPACN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)Cc2csc(-c3ccco3)n2)n1
InChIInChI=1S/C18H22N4O2S/c1-12(10-22-14(3)7-13(2)21-22)9-19-17(23)8-15-11-25-18(20-15)16-5-4-6-24-16/h4-7,11-12H,8-10H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyQMPDLVWOPJRNPV-LBPRGKRZSA-N
MW358.47 g/mol
LogP3.21
Rot. Bonds7

About N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 51953887) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID51953887
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)Cc2csc(-c3ccco3)n2)n1
InChIInChI=1S/C18H22N4O2S/c1-12(10-22-14(3)7-13(2)21-22)9-19-17(23)8-15-11-25-18(20-15)16-5-4-6-24-16/h4-7,11-12H,8-10H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyQMPDLVWOPJRNPV-LBPRGKRZSA-N
XLogP3.21
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid
CID 107833521
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(2R)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 39223987
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956632
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 31826746
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 125431826
1-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047921
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 51953887) is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1cc(C)n(C[C@@H](C)CNC(=O)Cc2csc(-c3ccco3)n2)n1.
What is the InChIKey of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is QMPDLVWOPJRNPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12(10-22-14(3)7-13(2)21-22)9-19-17(23)8-15-11-25-18(20-15)16-5-4-6-24-16/h4-7,11-12H,8-10H2,1-3H3,(H,19,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 51953887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).