4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol

C10H13N3O3S2 — CID 114811712

IUPAC4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol
SMILESO=S(=O)(Nc1ncc(C#CCCO)s1)NC1CC1
InChIInChI=1S/C10H13N3O3S2/c14-6-2-1-3-9-7-11-10(17-9)13-18(15,16)12-8-4-5-8/h7-8,12,14H,2,4-6H2,(H,11,13)
InChIKeyKJIIBXLCEJROMG-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.29
Rot. Bonds5

About 4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol

4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol (PubChem CID 114811712) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol
PubChem CID114811712
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol
SMILESO=S(=O)(Nc1ncc(C#CCCO)s1)NC1CC1
InChIInChI=1S/C10H13N3O3S2/c14-6-2-1-3-9-7-11-10(17-9)13-18(15,16)12-8-4-5-8/h7-8,12,14H,2,4-6H2,(H,11,13)
InChIKeyKJIIBXLCEJROMG-UHFFFAOYSA-N
XLogP0.29
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.29
H-Bond Donors ≤ 53
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]oxane-4-sulfonamide
CID 62048099
propan-2-yl N-[[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]sulfamoyl]carbamate
CID 114465631
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 60802655
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide
CID 60815253
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361479
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-sulfonamide
CID 102693735
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzenesulfonamide
CID 60814764
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]-2-(thian-4-yl)acetamide
CID 83138086
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 61277085
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propane-1-sulfonamide
CID 60813569
4-[4-(cyclopropylsulfamoylamino)-3-methylphenyl]but-3-yn-1-ol
CID 114811753

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol?
The IUPAC name of 4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol (CID 114811712) is 4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol is O=S(=O)(Nc1ncc(C#CCCO)s1)NC1CC1.
What is the InChIKey of 4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol?
The InChIKey is KJIIBXLCEJROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c14-6-2-1-3-9-7-11-10(17-9)13-18(15,16)12-8-4-5-8/h7-8,12,14H,2,4-6H2,(H,11,13).
What are the key properties of 4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol?
4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol has a molecular weight of 287.37 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol is sourced from PubChem (CID 114811712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).