N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C15H17N5S — CID 133426001

IUPACN-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(Nc2ccc(Cn3ccnc3)cc2)n1
InChIInChI=1S/C15H17N5S/c1-11(2)14-18-15(21-19-14)17-13-5-3-12(4-6-13)9-20-8-7-16-10-20/h3-8,10-11H,9H2,1-2H3,(H,17,18,19)
InChIKeyPWIMKGHKRNZJPP-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.65
Rot. Bonds5

About N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 133426001) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID133426001
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(Nc2ccc(Cn3ccnc3)cc2)n1
InChIInChI=1S/C15H17N5S/c1-11(2)14-18-15(21-19-14)17-13-5-3-12(4-6-13)9-20-8-7-16-10-20/h3-8,10-11H,9H2,1-2H3,(H,17,18,19)
InChIKeyPWIMKGHKRNZJPP-UHFFFAOYSA-N
XLogP3.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 133426001) is N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(Nc2ccc(Cn3ccnc3)cc2)n1.
What is the InChIKey of N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is PWIMKGHKRNZJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-11(2)14-18-15(21-19-14)17-13-5-3-12(4-6-13)9-20-8-7-16-10-20/h3-8,10-11H,9H2,1-2H3,(H,17,18,19).
What are the key properties of N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 299.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazol-1-ylmethyl)phenyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133426001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).