1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine

C14H20N4S2 — CID 138027751

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine
SMILESCc1csc(C2(NCc3nc(C(C)C)ns3)CCC2)n1
InChIInChI=1S/C14H20N4S2/c1-9(2)12-17-11(20-18-12)7-15-14(5-4-6-14)13-16-10(3)8-19-13/h8-9,15H,4-7H2,1-3H3
InChIKeyLJYUMLFFESRUED-UHFFFAOYSA-N
MW308.48 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine

1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine (PubChem CID 138027751) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine
PubChem CID138027751
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine
SMILESCc1csc(C2(NCc3nc(C(C)C)ns3)CCC2)n1
InChIInChI=1S/C14H20N4S2/c1-9(2)12-17-11(20-18-12)7-15-14(5-4-6-14)13-16-10(3)8-19-13/h8-9,15H,4-7H2,1-3H3
InChIKeyLJYUMLFFESRUED-UHFFFAOYSA-N
XLogP3.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine (CID 138027751) is 1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine is Cc1csc(C2(NCc3nc(C(C)C)ns3)CCC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine?
The InChIKey is LJYUMLFFESRUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-9(2)12-17-11(20-18-12)7-15-14(5-4-6-14)13-16-10(3)8-19-13/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine?
1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine has a molecular weight of 308.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 138027751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).