(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine

C10H12N4OS — CID 104771095

IUPAC(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(C(N)c2noc(C3CC3)n2)n1
InChIInChI=1S/C10H12N4OS/c1-5-4-16-10(12-5)7(11)8-13-9(15-14-8)6-2-3-6/h4,6-7H,2-3,11H2,1H3
InChIKeyKIULVDSJERIHJN-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.76
Rot. Bonds3

About (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine

(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 104771095) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID104771095
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(C(N)c2noc(C3CC3)n2)n1
InChIInChI=1S/C10H12N4OS/c1-5-4-16-10(12-5)7(11)8-13-9(15-14-8)6-2-3-6/h4,6-7H,2-3,11H2,1H3
InChIKeyKIULVDSJERIHJN-UHFFFAOYSA-N
XLogP1.76
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 104771095) is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine is Cc1csc(C(N)c2noc(C3CC3)n2)n1.
What is the InChIKey of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is KIULVDSJERIHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-5-4-16-10(12-5)7(11)8-13-9(15-14-8)6-2-3-6/h4,6-7H,2-3,11H2,1H3.
What are the key properties of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine?
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 236.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 104771095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).