N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide

C14H18N2O2S2 — CID 83138086

IUPACN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C14H18N2O2S2/c17-6-2-1-3-12-10-15-14(20-12)16-13(18)9-11-4-7-19-8-5-11/h10-11,17H,2,4-9H2,(H,15,16,18)
InChIKeyIBMBPNRWWDWWGI-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.35
Rot. Bonds4

About N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide

N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide (PubChem CID 83138086) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide
PubChem CID83138086
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C14H18N2O2S2/c17-6-2-1-3-12-10-15-14(20-12)16-13(18)9-11-4-7-19-8-5-11/h10-11,17H,2,4-9H2,(H,15,16,18)
InChIKeyIBMBPNRWWDWWGI-UHFFFAOYSA-N
XLogP2.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 60802655
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 102821142
2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
CID 114040448
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 60803168
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]hexanamide
CID 60803675
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 61277085
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 83137597
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide
CID 65215906
3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
CID 60801873
1-(4-fluorophenyl)-3-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]urea
CID 60813709
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide
CID 62389793
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-methoxypropanamide
CID 113374796

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide?
The IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide (CID 83138086) is N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide?
The canonical SMILES for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide is O=C(CC1CCSCC1)Nc1ncc(C#CCCO)s1.
What is the InChIKey of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide?
The InChIKey is IBMBPNRWWDWWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c17-6-2-1-3-12-10-15-14(20-12)16-13(18)9-11-4-7-19-8-5-11/h10-11,17H,2,4-9H2,(H,15,16,18).
What are the key properties of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide?
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83138086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).