N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine

C12H18N4S2 — CID 82428139

IUPACN-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCCNc1nnc(-c2sc(C)nc2CC)s1
InChIInChI=1S/C12H18N4S2/c1-4-6-7-13-12-16-15-11(18-12)10-9(5-2)14-8(3)17-10/h4-7H2,1-3H3,(H,13,16)
InChIKeyHPDRCMUTOLAHBN-UHFFFAOYSA-N
MW282.44 g/mol
LogP3.74
Rot. Bonds6

About N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine

N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82428139) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82428139
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC NameN-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCCNc1nnc(-c2sc(C)nc2CC)s1
InChIInChI=1S/C12H18N4S2/c1-4-6-7-13-12-16-15-11(18-12)10-9(5-2)14-8(3)17-10/h4-7H2,1-3H3,(H,13,16)
InChIKeyHPDRCMUTOLAHBN-UHFFFAOYSA-N
XLogP3.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82428139) is N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is CCCCNc1nnc(-c2sc(C)nc2CC)s1.
What is the InChIKey of N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HPDRCMUTOLAHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-4-6-7-13-12-16-15-11(18-12)10-9(5-2)14-8(3)17-10/h4-7H2,1-3H3,(H,13,16).
What are the key properties of N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 282.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82428139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).