(2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide

C16H20N2O3S — CID 52539367

IUPAC(2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(-c2csc(NC(=O)[C@@H](C)OCC3CC3)n2)c(C)o1
InChIInChI=1S/C16H20N2O3S/c1-9-6-13(10(2)21-9)14-8-22-16(17-14)18-15(19)11(3)20-7-12-4-5-12/h6,8,11-12H,4-5,7H2,1-3H3,(H,17,18,19)/t11-/m1/s1
InChIKeyUTAPMAVKTLPYTA-LLVKDONJSA-N
MW320.41 g/mol
LogP3.77
Rot. Bonds6

About (2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide

(2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 52539367) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID52539367
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(-c2csc(NC(=O)[C@@H](C)OCC3CC3)n2)c(C)o1
InChIInChI=1S/C16H20N2O3S/c1-9-6-13(10(2)21-9)14-8-22-16(17-14)18-15(19)11(3)20-7-12-4-5-12/h6,8,11-12H,4-5,7H2,1-3H3,(H,17,18,19)/t11-/m1/s1
InChIKeyUTAPMAVKTLPYTA-LLVKDONJSA-N
XLogP3.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]acetamide
CID 47066446
(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119300524
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119300523
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55923041
(2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94814555
(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 94816049
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 48847769
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077525
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 55922780
ethyl 2-[2-(cyclopropylmethoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 86847229
(2R)-2-(cyclopropylmethoxy)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 95291640
(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7924820

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide (CID 52539367) is (2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide is Cc1cc(-c2csc(NC(=O)[C@@H](C)OCC3CC3)n2)c(C)o1.
What is the InChIKey of (2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is UTAPMAVKTLPYTA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-9-6-13(10(2)21-9)14-8-22-16(17-14)18-15(19)11(3)20-7-12-4-5-12/h6,8,11-12H,4-5,7H2,1-3H3,(H,17,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide?
(2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 320.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 52539367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).