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

C10H16N2O2S2 — CID 43418177

IUPACN-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NCCCO)cs1
InChIInChI=1S/C10H16N2O2S2/c1-8-12-9(6-16-8)5-15-7-10(14)11-3-2-4-13/h6,13H,2-5,7H2,1H3,(H,11,14)
InChIKeyRUUZBSHBHBOLMF-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.18
Rot. Bonds7

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

N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 43418177) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID43418177
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC NameN-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NCCCO)cs1
InChIInChI=1S/C10H16N2O2S2/c1-8-12-9(6-16-8)5-15-7-10(14)11-3-2-4-13/h6,13H,2-5,7H2,1H3,(H,11,14)
InChIKeyRUUZBSHBHBOLMF-UHFFFAOYSA-N
XLogP1.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 39632677
N-(3-ethoxypropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 56811625
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 16276934
2-(cyanomethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 45817573
1-(3-Hydroxypropyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71933679
2-[2-hydroxyethyl(methyl)amino]-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 99940736
N-(3-ethoxypropyl)-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
CID 121557499
2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 150435920
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726357
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103755796
N-(3,3-difluoro-2-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 103769889
N-(3,3-difluoro-2-hydroxypropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 103769904

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 43418177) is N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is Cc1nc(CSCC(=O)NCCCO)cs1.
What is the InChIKey of N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is RUUZBSHBHBOLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-8-12-9(6-16-8)5-15-7-10(14)11-3-2-4-13/h6,13H,2-5,7H2,1H3,(H,11,14).
What are the key properties of N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 43418177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).