N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C15H21N3S2 — CID 82435926

IUPACN-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCc1nc(C2CC2)c(-c2csc(NC(C)CC)n2)s1
InChIInChI=1S/C15H21N3S2/c1-4-9(3)16-15-17-11(8-19-15)14-13(10-6-7-10)18-12(5-2)20-14/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyOMRDUYYVBYTANF-UHFFFAOYSA-N
MW307.49 g/mol
LogP4.92
Rot. Bonds6

About N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82435926) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82435926
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC NameN-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCc1nc(C2CC2)c(-c2csc(NC(C)CC)n2)s1
InChIInChI=1S/C15H21N3S2/c1-4-9(3)16-15-17-11(8-19-15)14-13(10-6-7-10)18-12(5-2)20-14/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyOMRDUYYVBYTANF-UHFFFAOYSA-N
XLogP4.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82435926) is N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CCc1nc(C2CC2)c(-c2csc(NC(C)CC)n2)s1.
What is the InChIKey of N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is OMRDUYYVBYTANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-4-9(3)16-15-17-11(8-19-15)14-13(10-6-7-10)18-12(5-2)20-14/h8-10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 307.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82435926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).