4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide

C10H19N3O3S2 — CID 43606785

IUPAC4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCNC(C)C
InChIInChI=1S/C10H19N3O3S2/c1-7(2)11-5-4-6-12-18(15,16)9-8(3)13-10(14)17-9/h7,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyYWFQRZVTXNFBOI-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.41
Rot. Bonds7

About 4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43606785) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide
PubChem CID43606785
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Name4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCNC(C)C
InChIInChI=1S/C10H19N3O3S2/c1-7(2)11-5-4-6-12-18(15,16)9-8(3)13-10(14)17-9/h7,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyYWFQRZVTXNFBOI-UHFFFAOYSA-N
XLogP0.41
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide (CID 43606785) is 4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCCNC(C)C.
What is the InChIKey of 4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is YWFQRZVTXNFBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-7(2)11-5-4-6-12-18(15,16)9-8(3)13-10(14)17-9/h7,11-12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[3-(propan-2-ylamino)propyl]-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43606785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).