[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine

C10H16N2O2S2 — CID 82436840

IUPAC[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCS(=O)(=O)Cc1nc(C2CC2)c(CN)s1
InChIInChI=1S/C10H16N2O2S2/c1-2-16(13,14)6-9-12-10(7-3-4-7)8(5-11)15-9/h7H,2-6,11H2,1H3
InChIKeyHFZDRPYBXRDZJH-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.41
Rot. Bonds5

About [4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82436840) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82436840
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCS(=O)(=O)Cc1nc(C2CC2)c(CN)s1
InChIInChI=1S/C10H16N2O2S2/c1-2-16(13,14)6-9-12-10(7-3-4-7)8(5-11)15-9/h7H,2-6,11H2,1H3
InChIKeyHFZDRPYBXRDZJH-UHFFFAOYSA-N
XLogP1.41
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine (CID 82436840) is [4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine is CCS(=O)(=O)Cc1nc(C2CC2)c(CN)s1.
What is the InChIKey of [4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is HFZDRPYBXRDZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-2-16(13,14)6-9-12-10(7-3-4-7)8(5-11)15-9/h7H,2-6,11H2,1H3.
What are the key properties of [4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82436840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).