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

C15H16N2O2S2 — CID 60804741

IUPACN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C15H16N2O2S2/c18-9-2-1-5-13-11-16-15(21-13)17-14(19)8-3-6-12-7-4-10-20-12/h4,7,10-11,18H,2-3,6,8-9H2,(H,16,17,19)
InChIKeyGACKFZIYNMVQIF-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.90
Rot. Bonds6

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

N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide (PubChem CID 60804741) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
PubChem CID60804741
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC NameN-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ncc(C#CCCO)s1
InChIInChI=1S/C15H16N2O2S2/c18-9-2-1-5-13-11-16-15(21-13)17-14(19)8-3-6-12-7-4-10-20-12/h4,7,10-11,18H,2-3,6,8-9H2,(H,16,17,19)
InChIKeyGACKFZIYNMVQIF-UHFFFAOYSA-N
XLogP2.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.90
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]-2-(3-methylphenyl)acetamide
CID 62389793
2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
CID 114040448
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide
CID 65215906
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide
CID 83138086
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 17444449
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]cyclopentanecarboxamide
CID 60802655
5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 104639390
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-6-oxopyran-3-carboxamide
CID 60802471
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 54922908
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2,3-dimethylbenzamide
CID 60803347

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide (CID 60804741) is N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1ncc(C#CCCO)s1.
What is the InChIKey of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
The InChIKey is GACKFZIYNMVQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c18-9-2-1-5-13-11-16-15(21-13)17-14(19)8-3-6-12-7-4-10-20-12/h4,7,10-11,18H,2-3,6,8-9H2,(H,16,17,19).
What are the key properties of N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide has a molecular weight of 320.44 g/mol, XLogP of 2.90, 6 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]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 60804741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).