4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine

C10H17AsN2S — CID 87758406

IUPAC4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine
SMILESC[As](C)Cc1nc(N)sc1C1(C)CC1
InChIInChI=1S/C10H17AsN2S/c1-10(4-5-10)8-7(6-11(2)3)13-9(12)14-8/h4-6H2,1-3H3,(H2,12,13)
InChIKeyHXTNANUCEMHKJJ-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.61
Rot. Bonds3

About 4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine

4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine (PubChem CID 87758406) has the molecular formula C10H17AsN2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine
PubChem CID87758406
Molecular FormulaC10H17AsN2S
Molecular Weight272.25 g/mol
Exact Mass272.03
IUPAC Name4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine
SMILESC[As](C)Cc1nc(N)sc1C1(C)CC1
InChIInChI=1S/C10H17AsN2S/c1-10(4-5-10)8-7(6-11(2)3)13-9(12)14-8/h4-6H2,1-3H3,(H2,12,13)
InChIKeyHXTNANUCEMHKJJ-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine (CID 87758406) is 4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine is C[As](C)Cc1nc(N)sc1C1(C)CC1.
What is the InChIKey of 4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine?
The InChIKey is HXTNANUCEMHKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17AsN2S/c1-10(4-5-10)8-7(6-11(2)3)13-9(12)14-8/h4-6H2,1-3H3,(H2,12,13).
What are the key properties of 4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine?
4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine has a molecular weight of 272.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylarsanylmethyl)-5-(1-methylcyclopropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87758406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).