N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C15H18N2O2S2 — CID 114751577

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC1(CCO)CC1
InChIInChI=1S/C15H18N2O2S2/c18-5-4-15(2-3-15)10-16-13(19)7-12-9-21-14(17-12)11-1-6-20-8-11/h1,6,8-9,18H,2-5,7,10H2,(H,16,19)
InChIKeyIAKHNXYFCLLPSR-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.69
Rot. Bonds7

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 114751577) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID114751577
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC1(CCO)CC1
InChIInChI=1S/C15H18N2O2S2/c18-5-4-15(2-3-15)10-16-13(19)7-12-9-21-14(17-12)11-1-6-20-8-11/h1,6,8-9,18H,2-5,7,10H2,(H,16,19)
InChIKeyIAKHNXYFCLLPSR-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide with MolForge

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Related Compounds

1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450030
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751553
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 103849592
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-(1-hydroxy-2-methylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 64557574
N-(4-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 107300543
2-methoxy-3-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 106107521
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 27760643
N-[2-(2-methylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18114604

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 114751577) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)NCC1(CCO)CC1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IAKHNXYFCLLPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c18-5-4-15(2-3-15)10-16-13(19)7-12-9-21-14(17-12)11-1-6-20-8-11/h1,6,8-9,18H,2-5,7,10H2,(H,16,19).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 322.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 114751577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).