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

C13H20N2O2S2 — CID 114750920

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NCC2(CCO)CC2)cs1
InChIInChI=1S/C13H20N2O2S2/c1-10-15-11(7-19-10)6-18-8-12(17)14-9-13(2-3-13)4-5-16/h7,16H,2-6,8-9H2,1H3,(H,14,17)
InChIKeyXWTRHHOJIRLKGP-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.96
Rot. Bonds8

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

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 114750920) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID114750920
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NCC2(CCO)CC2)cs1
InChIInChI=1S/C13H20N2O2S2/c1-10-15-11(7-19-10)6-18-8-12(17)14-9-13(2-3-13)4-5-16/h7,16H,2-6,8-9H2,1H3,(H,14,17)
InChIKeyXWTRHHOJIRLKGP-UHFFFAOYSA-N
XLogP1.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 65119811
ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]acetate
CID 47257401
N-(2-hydroxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 65110108
N-(1-hydroxy-3-methylpentan-3-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 103946296
(2S)-2-hydroxy-3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 107832873
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 104630238
(2S)-2-hydroxy-4-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 107833982
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
CID 7131479
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 103839734
N-[(3-methyloxetan-3-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 78957332
3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43360903
2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]pentanoic acid
CID 43631009

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 114750920) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is Cc1nc(CSCC(=O)NCC2(CCO)CC2)cs1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is XWTRHHOJIRLKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-10-15-11(7-19-10)6-18-8-12(17)14-9-13(2-3-13)4-5-16/h7,16H,2-6,8-9H2,1H3,(H,14,17).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 300.45 g/mol, XLogP of 1.96, 8 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-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 114750920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).