N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide

C8H14N2OS3 — CID 161235170

IUPACN,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide
SMILESCNS(=O)(=S)c1sc(C(C)C)nc1C
InChIInChI=1S/C8H14N2OS3/c1-5(2)7-10-6(3)8(13-7)14(11,12)9-4/h5,9H,1-4H3
InChIKeyZMHHKIHKSBSUKK-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.81
Rot. Bonds3

About N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide

N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide (PubChem CID 161235170) has the molecular formula C8H14N2OS3 and a molecular weight of 250.41 g/mol. Its IUPAC name is N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide.

Molecular Properties

Compound NameN,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide
PubChem CID161235170
Molecular FormulaC8H14N2OS3
Molecular Weight250.41 g/mol
Exact Mass250.03
IUPAC NameN,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide
SMILESCNS(=O)(=S)c1sc(C(C)C)nc1C
InChIInChI=1S/C8H14N2OS3/c1-5(2)7-10-6(3)8(13-7)14(11,12)9-4/h5,9H,1-4H3
InChIKeyZMHHKIHKSBSUKK-UHFFFAOYSA-N
XLogP1.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide?
The IUPAC name of N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide (CID 161235170) is N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide.
What is the SMILES notation for N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide?
The canonical SMILES for N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide is CNS(=O)(=S)c1sc(C(C)C)nc1C.
What is the InChIKey of N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide?
The InChIKey is ZMHHKIHKSBSUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS3/c1-5(2)7-10-6(3)8(13-7)14(11,12)9-4/h5,9H,1-4H3.
What are the key properties of N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide?
N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide has a molecular weight of 250.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-sulfonothioamide is sourced from PubChem (CID 161235170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).