[4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine

C10H16N2S — CID 104840968

IUPAC[4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(C2(C)CC2)sc1CN
InChIInChI=1S/C10H16N2S/c1-3-7-8(6-11)13-9(12-7)10(2)4-5-10/h3-6,11H2,1-2H3
InChIKeyBUSMFDQUQAZRBZ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.22
Rot. Bonds3

About [4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine

[4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 104840968) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is [4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID104840968
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name[4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(C2(C)CC2)sc1CN
InChIInChI=1S/C10H16N2S/c1-3-7-8(6-11)13-9(12-7)10(2)4-5-10/h3-6,11H2,1-2H3
InChIKeyBUSMFDQUQAZRBZ-UHFFFAOYSA-N
XLogP2.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine (CID 104840968) is [4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine is CCc1nc(C2(C)CC2)sc1CN.
What is the InChIKey of [4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BUSMFDQUQAZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-7-8(6-11)13-9(12-7)10(2)4-5-10/h3-6,11H2,1-2H3.
What are the key properties of [4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 196.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 104840968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).